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2-chloro-3-oxo-N-phenylbutanamide

2-chloro-3-oxo-N-phenylbutanamide

CAS: 31844-92-5

Formula: C10H10ClNO2

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

IUPAC: 2-chloro-3-oxo-N-phenylbutanamide

InChI: InChI=1/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)

Composition: C (56.75%), H (4.76%), Cl (16.75%), N (6.62%), O (15.12%)

Molar Mass: 211.65

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 211.0400063
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LBHYOONLWAWEAA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.21
Topological Polar Surface Area 46.17
Polarizability 20.82
Ring Count 1
Rotatable Bond Count 3

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95% <2 Days 31844-92-5 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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