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101398-06-5 | 4-Fluoro-N-(4-isopropyl-phenyl)-benzamide
CAS No: 101398-06-5 Catalog No: AG01FBFW MDL No:
Product Description
Catalog Number:
AG01FBFW
Chemical Name:
4-Fluoro-N-(4-isopropyl-phenyl)-benzamide
CAS Number:
101398-06-5
Molecular Formula:
C16H16FNO
Molecular Weight:
257.3027
IUPAC Name:
4-fluoro-N-(4-propan-2-ylphenyl)benzamide
InChI:
InChI=1S/C16H16FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19)
InChI Key:
HUQDLXDEERRJKZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.308g/mol
Monoisotopic Mass:
257.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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