2-chloro-5-methoxybenzoic acid

2-chloro-5-methoxybenzoic acid

CAS: 6280-89-3

Formula: C8H7ClO3

SMILES: COC1=CC(C(O)=O)=C(Cl)C=C1

IUPAC: 2-chloro-5-methoxybenzoic acid

InChI: InChI=1S/C8H7ClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

Composition: C (51.50%), H (3.78%), Cl (19.00%), O (25.72%)

Molar Mass: 186.59

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.0083718
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AQHFCRYZABKUEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.58
Topological Polar Surface Area	46.53
Polarizability	17.14
Ring Count	1
Rotatable Bond Count	2

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