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3-chloro-N-(4-ethylphenyl)propanamide

3-chloro-N-(4-ethylphenyl)propanamide

CAS: 20330-92-1

Formula: C11H14ClNO

SMILES: CCC1=CC=C(NC(=O)CCCl)C=C1

IUPAC: 3-chloro-N-(4-ethylphenyl)propanamide

InChI: InChI=1S/C11H14ClNO/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)

Composition: C (62.41%), H (6.67%), Cl (16.75%), N (6.62%), O (7.56%)

Molar Mass: 211.69

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.0763918
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WQPYTZBEFRRILN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.02
Topological Polar Surface Area 29.1
Polarizability 22.47
Ring Count 1
Rotatable Bond Count 4

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