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1647-94-5 | Benzenepropanoic acid, β-(benzoylamino)-4-fluoro-
CAS No: 1647-94-5 Catalog No: AG001V1Y MDL No:MFCD01366671
Product Description
Catalog Number:
AG001V1Y
Chemical Name:
Benzenepropanoic acid, β-(benzoylamino)-4-fluoro-
CAS Number:
1647-94-5
Molecular Formula:
C16H14FNO3
Molecular Weight:
287.2857
MDL Number:
MFCD01366671
IUPAC Name:
3-benzamido-3-(4-fluorophenyl)propanoic acid
InChI:
InChI=1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChI Key:
WLUWCIYANRIZHX-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)F)NC(=O)c1ccccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.29g/mol
Monoisotopic Mass:
287.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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