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1314987-71-7 | Benzoic acid, 3-(6-amino-3-pyridinyl)-5-fluoro-, methyl ester
CAS No: 1314987-71-7 Catalog No: AG000WCT MDL No:MFCD19684175
Product Description
Catalog Number:
AG000WCT
Chemical Name:
Benzoic acid, 3-(6-amino-3-pyridinyl)-5-fluoro-, methyl ester
CAS Number:
1314987-71-7
Molecular Formula:
C13H11FN2O2
Molecular Weight:
246.2370
MDL Number:
MFCD19684175
IUPAC Name:
methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate
InChI:
InChI=1S/C13H11FN2O2/c1-18-13(17)10-4-9(5-11(14)6-10)8-2-3-12(15)16-7-8/h2-7H,1H3,(H2,15,16)
InChI Key:
IWSQDIMVXVHITJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1)c1ccc(nc1)N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.241g/mol
Monoisotopic Mass:
246.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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