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886976-75-6 | Benzoic acid, 2-fluoro-4-[(2-pyridinylcarbonyl)amino]-, methyl ester
CAS No: 886976-75-6 Catalog No: AG0047H4 MDL No:
Product Description
Catalog Number:
AG0047H4
Chemical Name:
Benzoic acid, 2-fluoro-4-[(2-pyridinylcarbonyl)amino]-, methyl ester
CAS Number:
886976-75-6
Molecular Formula:
C14H11FN2O3
Molecular Weight:
274.2471
IUPAC Name:
methyl 2-fluoro-4-(pyridine-2-carbonylamino)benzoate
InChI:
InChI=1S/C14H11FN2O3/c1-20-14(19)10-6-5-9(8-11(10)15)17-13(18)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,18)
InChI Key:
VLZVUFVOGHUPHW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)NC(=O)c1ccccn1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.251g/mol
Monoisotopic Mass:
274.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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