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89006-97-3 | Benzamide, 4-chloro-N-(3-methyl-2-oxobutyl)-
CAS No: 89006-97-3 Catalog No: AG0044ZZ MDL No:
Product Description
Catalog Number:
AG0044ZZ
Chemical Name:
Benzamide, 4-chloro-N-(3-methyl-2-oxobutyl)-
CAS Number:
89006-97-3
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
4-chloro-N-(3-methyl-2-oxobutyl)benzamide
InChI:
InChI=1S/C12H14ClNO2/c1-8(2)11(15)7-14-12(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChI Key:
ALAQLNBEPFMHDG-UHFFFAOYSA-N
SMILES:
CC(C(=O)CNC(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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