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89007-00-1 | Benzamide, 4-fluoro-N-(4-methyl-2-oxopentyl)-
CAS No: 89007-00-1 Catalog No: AG00461C MDL No:
Product Description
Catalog Number:
AG00461C
Chemical Name:
Benzamide, 4-fluoro-N-(4-methyl-2-oxopentyl)-
CAS Number:
89007-00-1
Molecular Formula:
C13H16FNO2
Molecular Weight:
237.2700
IUPAC Name:
4-fluoro-N-(4-methyl-2-oxopentyl)benzamide
InChI:
InChI=1S/C13H16FNO2/c1-9(2)7-12(16)8-15-13(17)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChI Key:
NFFUMOXUYOUXBC-UHFFFAOYSA-N
SMILES:
CC(CC(=O)CNC(=O)c1ccc(cc1)F)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.274g/mol
Monoisotopic Mass:
237.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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