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3-bromo-5-chloro-2-methoxybenzoic acid

3-bromo-5-chloro-2-methoxybenzoic acid

CAS: 66237-57-8

Formula: C8H6BrClO3

SMILES: COC1=C(C=C(Cl)C=C1Br)C(O)=O

IUPAC: 3-bromo-5-chloro-2-methoxybenzoic acid

InChI: InChI=1S/C8H6BrClO3/c1-13-7-5(8(11)12)2-4(10)3-6(7)9/h2-3H,1H3,(H,11,12)

Composition: C (36.19%), H (2.28%), Br (30.10%), Cl (13.35%), O (18.08%)

Molar Mass: 265.49

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 263.918885
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JMFZDNNGRGRBEH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.2
Topological Polar Surface Area 46.53
Polarizability 20.16
Ring Count 1
Rotatable Bond Count 2

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