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2-phenylbutanoyl chloride

2-phenylbutanoyl chloride

CAS: 36854-57-6

Formula: C10H11ClO

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

IUPAC: 2-phenylbutanoyl chloride

InChI: InChI=1/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

Composition: C (65.76%), H (6.07%), Cl (19.41%), O (8.76%)

Molar Mass: 182.65

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 182.0498427
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QGXMHCMPIAYMGT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.4
Topological Polar Surface Area 17.07
Polarizability 19.62
Ring Count 1
Rotatable Bond Count 3

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