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3-(4-chloro-3-methylphenyl)propan-1-ol

3-(4-chloro-3-methylphenyl)propan-1-ol

CAS: 1093173-25-1

Formula: C10H13ClO

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

IUPAC: 3-(4-chloro-3-methylphenyl)propan-1-ol

InChI: InChI=1S/C10H13ClO/c1-8-7-9(3-2-6-12)4-5-10(8)11/h4-5,7,12H,2-3,6H2,1H3

Composition: C (65.04%), H (7.10%), Cl (19.20%), O (8.66%)

Molar Mass: 184.66

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.0654927
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BZNQPRPSEYRSAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.08
Topological Polar Surface Area 20.23
Polarizability 20.01
Ring Count 1
Rotatable Bond Count 3

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