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Cyhalothrin Impurity 11

CAT: 1596-AR-C08771-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08771-03Size:50 Units
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CAS Number
2381954-05-6
Molecular Formula
C9H10ClF3O2
Molecular Weight
242.62
API Name
Cyhalothrin

Chemical Information

(1S,3R)-3-((Z)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic Acid
CAS Number2381954-05-6
PubChem CID171379690
IUPAC Namemethyl (4S)-4-[(5R,10S,12R,13R,14R,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC25H40O4
Molecular Weight404.6
XLogP4.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1([C@@H](CC3C2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI
InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3/t15-,16+,18?,19+,20+,21?,22+,24-,25+/m0/s1
InChIKey
LOJPGRHPJBGMMF-HUJSKBLGSA-N
Chemical Structure
2D Structure
2D structure of (1S,3R)-3-((Z)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic Acid
CAS: 2381954-05-6
CID: 171379690
Formula: C25H40O4
MW: 404.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass404.29265975
Monoisotopic Mass404.29265975
Topological Polar Surface Area63.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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