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3-chloro-1-(4-methoxyphenyl)propan-1-one

3-chloro-1-(4-methoxyphenyl)propan-1-one

CAS: 35999-20-3

Formula: C10H11ClO2

SMILES: COC1=CC=C(C=C1)C(=O)CCCl

IUPAC: 3-chloro-1-(4-methoxyphenyl)propan-1-one

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

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 0
Exact Mass 198.0447573
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FJBUZSAECLLZOL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.38
Topological Polar Surface Area 26.3
Polarizability 20.25
Ring Count 1
Rotatable Bond Count 4

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