2-amino-5-chloro-3-methylbenzoic acid

2-amino-5-chloro-3-methylbenzoic acid

CAS: 20776-67-4

Formula: C8H8ClNO2

SMILES: CC1=C(N)C(=CC(Cl)=C1)C(O)=O

IUPAC: 2-amino-5-chloro-3-methylbenzoic acid

InChI: InChI=1S/C8H8ClNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KOPXCQUAFDWYOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.86
Topological Polar Surface Area	63.32
Polarizability	17.48
Ring Count	1
Rotatable Bond Count	1

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