2-amino-5-chlorobenzoic acid

2-amino-5-chlorobenzoic acid

CAS: 635-21-2

Formula: C7H6ClNO2

SMILES: NC1=CC=C(Cl)C=C1C(O)=O

IUPAC: 2-amino-5-chlorobenzoic acid

InChI: InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

Composition: C (49.00%), H (3.52%), Cl (20.66%), N (8.16%), O (18.65%)

Molar Mass: 171.58

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.0087061
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IFXKXCLVKQVVDI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.82
Topological Polar Surface Area 63.32
Polarizability 15.73
Ring Count 1
Rotatable Bond Count 1

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