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101-92-8 | Butanamide, N-(4-chlorophenyl)-3-oxo-
CAS No: 101-92-8 Catalog No: AG0003GR MDL No:MFCD00000613
Product Description
Catalog Number:
AG0003GR
Chemical Name:
Butanamide, N-(4-chlorophenyl)-3-oxo-
CAS Number:
101-92-8
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
MDL Number:
MFCD00000613
IUPAC Name:
N-(4-chlorophenyl)-3-oxobutanamide
InChI:
InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChI Key:
JMRJWEJJUKUBEA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)CC(=O)C
EC Number:
202-989-6
UNII:
421YJ21R1J
NSC Number:
3544
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.645g/mol
Monoisotopic Mass:
211.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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