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2-chloro-N-(2,5-dimethylphenyl)propanamide

2-chloro-N-(2,5-dimethylphenyl)propanamide

CAS: 400755-56-8

Formula: C11H14ClNO

SMILES: CC(Cl)C(=O)NC1=C(C)C=CC(C)=C1

IUPAC: 2-chloro-N-(2,5-dimethylphenyl)propanamide

InChI: InChI=1/C11H14ClNO/c1-7-4-5-8(2)10(6-7)13-11(14)9(3)12/h4-6,9H,1-3H3,(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 1
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 XFJQOYYSGXWMEA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.25
Topological Polar Surface Area 29.1
Polarizability 22.4
Ring Count 1
Rotatable Bond Count 2

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