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5-(chloromethyl)-2-methoxybenzoic acid

5-(chloromethyl)-2-methoxybenzoic acid

CAS: 3641-23-4

Formula: C9H9ClO3

SMILES: COC1=CC=C(CCl)C=C1C(O)=O

IUPAC: 5-(chloromethyl)-2-methoxybenzoic acid

InChI: InChI=1S/C9H9ClO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4H,5H2,1H3,(H,11,12)

Composition: C (53.88%), H (4.52%), Cl (17.67%), O (23.92%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0240218
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LXSPNZGYCRQFSD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.64
Topological Polar Surface Area 46.53
Polarizability 18.9
Ring Count 1
Rotatable Bond Count 3

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