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

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

CAS: 915920-71-7

Formula: C10H11Cl2NO2

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

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

InChI: InChI=1S/C10H11Cl2NO2/c1-15-9-6-7(2-3-8(9)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)

Composition: C (48.41%), H (4.47%), Cl (28.58%), N (5.65%), O (12.90%)

Molar Mass: 248.1

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.016684
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey INNNKGKVOJVVKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.64
Topological Polar Surface Area 38.33
Polarizability 23.36
Ring Count 1
Rotatable Bond Count 4

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