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4-chloro-3-methoxybenzoic acid

4-chloro-3-methoxybenzoic acid

CAS: 85740-98-3

Formula: C8H7ClO3

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

IUPAC: 4-chloro-3-methoxybenzoic acid

InChI: InChI=1S/C8H7ClO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/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 OXUUNDMDOOXPKY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.58
Topological Polar Surface Area 46.53
Polarizability 17.15
Ring Count 1
Rotatable Bond Count 2

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