2-chloro-3,4-dimethoxybenzoic acid

2-chloro-3,4-dimethoxybenzoic acid

CAS: 52009-53-7

Formula: C9H9ClO4

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

IUPAC: 2-chloro-3,4-dimethoxybenzoic acid

InChI: InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4H,1-2H3,(H,11,12)

Composition: C (49.90%), H (4.19%), Cl (16.37%), O (29.54%)

Molar Mass: 216.62

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.0189365
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YSEIYOHXERRMNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.05
Topological Polar Surface Area	55.76
Polarizability	19.73
Ring Count	1
Rotatable Bond Count	3

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