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3-(3-chlorophenyl)-2-methylpropanoic acid

3-(3-chlorophenyl)-2-methylpropanoic acid

CAS: 66735-00-0

Formula: C10H11ClO2

SMILES: CC(CC1=CC(Cl)=CC=C1)C(O)=O

IUPAC: 3-(3-chlorophenyl)-2-methylpropanoic acid

InChI: InChI=1/C10H11ClO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)

Composition: C (60.46%), H (5.58%), Cl (17.85%), O (16.11%)

Molar Mass: 198.65

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 198.0447573
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KSPGRSKQMCBYNX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.35
Topological Polar Surface Area 37.3
Polarizability 20.09
Ring Count 1
Rotatable Bond Count 3

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