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131058-49-6 | Benzoic acid, 2-[[2-[(4-fluorophenyl)amino]acetyl]amino]-
CAS No: 131058-49-6 Catalog No: AG000VGM MDL No:
Product Description
Catalog Number:
AG000VGM
Chemical Name:
Benzoic acid, 2-[[2-[(4-fluorophenyl)amino]acetyl]amino]-
CAS Number:
131058-49-6
Molecular Formula:
C15H13FN2O3
Molecular Weight:
288.2737
IUPAC Name:
2-[[2-(4-fluoroanilino)acetyl]amino]benzoic acid
InChI:
InChI=1S/C15H13FN2O3/c16-10-5-7-11(8-6-10)17-9-14(19)18-13-4-2-1-3-12(13)15(20)21/h1-8,17H,9H2,(H,18,19)(H,20,21)
InChI Key:
NDFUKVZAOICRQE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(=O)O)CNc1ccc(cc1)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.278g/mol
Monoisotopic Mass:
288.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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