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

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

CAS: 51318-77-5

Formula: C10H11Cl2NO

SMILES: CC1=C(Cl)C=C(NC(=O)CCCl)C=C1

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

InChI: InChI=1S/C10H11Cl2NO/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)

Composition: C (51.75%), H (4.78%), Cl (30.55%), N (6.03%), O (6.89%)

Molar Mass: 232.1

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.0217694
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AYHNLFKWLFKEDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.22
Topological Polar Surface Area 29.1
Polarizability 22.54
Ring Count 1
Rotatable Bond Count 3

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