2-amino-4-chloro-5-methoxybenzoic acid

2-amino-4-chloro-5-methoxybenzoic acid

CAS: 181434-76-4

Formula: C8H8ClNO3

SMILES: COC1=CC(C(O)=O)=C(N)C=C1Cl

IUPAC: 2-amino-4-chloro-5-methoxybenzoic acid

InChI: InChI=1S/C8H8ClNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12)

Composition: C (47.66%), H (4.00%), Cl (17.58%), N (6.95%), O (23.81%)

Molar Mass: 201.61

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.0192708
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UIXXZKAAGMGUFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.28
Topological Polar Surface Area	72.55
Polarizability	18.32
Ring Count	1
Rotatable Bond Count	2

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