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(1R-cis)-Decamethrinic Acid

CAT: 0572-TRC-D212400-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D212400-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53179-78-5
Synonyms
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (1R,3R)-; Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (1R-cis)-; (1R-cis)-Decamethrinic acid; Deltamethric acid; Deltamethrinic acid
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O
Molecular Formula
C8 H10 Br2 O2
Molecular Weight
297.97
InChI
InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m0/s1
Additionnal Information
IUPAC name: (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Deltamethrinic acid

Cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid is an organobromine compound consisting of cyclopropanecarboxylic acid having a 2,2-dibromovinyl group at the 3-position and two methyl groups at the 2-position. It is a monocarboxylic acid and an organobromine compound. It is functionally related to a cyclopropanecarboxylic acid.

CAS Number53179-78-5
PubChem CID10924480
IUPAC Nametrans-(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Molecular FormulaC8H10Br2O2
Molecular Weight297.97
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
CC1([C@H]([C@H]1C(=O)O)C=C(Br)Br)C
InChI
InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m0/s1
InChIKey
MDIQXIJPQWLFSD-NJGYIYPDSA-N
Chemical Structure
2D Structure
2D structure of Deltamethrinic acid
CAS: 53179-78-5
CID: 10924480
Formula: C8H10Br2O2
MW: 297.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.97
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass297.90271
Monoisotopic Mass295.90475
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
1590491S-cis-Decamethrinic Acid
412455-01(1R-trans) -Decamethrinic Acid
412447-01(1R-cis) -Cyhalothric Acid
sc-499944(1S-trans) -Decamethrinic Acid
LCA58678-01(1R,2S) -Cis-2-hydroxycyclohexane-carboxylic acid ethylester
278176-01Fmoc-cis- (1R,2S) -2-aminocyclopentane carboxylic acid
AQ C3 0001-01Cis- (1R,2S) -2-phenylcyclopropane-1-carboxylic acid
AQ C3 0002-01Cis- (1R,2S) -cyclopropane-1,2-dicarboxylic acid
AQ C4 0001-01Cis- (1R,2S) -cyclobutane-1,2-dicarboxylic acid
AQ C3 0042-01Cis- (1R,2S) -3-phenylcyclopropane-1,2-dicarboxylic acid

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