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Compound Fr13080

CAT: 0931-Fr13080-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-Fr13080-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2789-92-6
Purity
0.9885
Bioactivity
Compound Fr13080, with CAS No. 2789-92-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13080 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
NC1=C(C=C(Cl)C=C1Cl)C(O)=O
Molecular Formula
C7H5Cl2NO2
Molecular Weight
206.026
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Dichloroanthranilic acid

a synthetic elicitor of disease resistance mechanisms in Arabidopsis

CAS Number2789-92-6
PubChem CID76036
IUPAC Name2-amino-3,5-dichlorobenzoic acid
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.02
XLogP2.6
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
C1=C(C=C(C(=C1C(=O)O)N)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
KTHTXLUIEAIGCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloroanthranilic acid
CAS: 2789-92-6
CID: 76036
Formula: C7H5Cl2NO2
MW: 206.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.02
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass204.9697338
Monoisotopic Mass204.9697338
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13050-01Compound Fr13050
Fr13000-01Compound Fr13000
Fr13083-01Compound Fr13083
Fr13380-01Compound Fr13380
Fr13020-01Compound Fr13020
Fr13008-01Compound Fr13008
Fr13580-01Compound Fr13580
Fr13280-01Compound Fr13280
Fr13084-01Compound Fr13084
Fr13030-01Compound Fr13030

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