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1214351-07-1 | 4-Pyridinecarboxylic acid, 5-fluoro-1,2-dihydro-2-oxo-, methyl ester
CAS No: 1214351-07-1 Catalog No: AG0014UX MDL No:
Product Description
Catalog Number:
AG0014UX
Chemical Name:
4-Pyridinecarboxylic acid, 5-fluoro-1,2-dihydro-2-oxo-, methyl ester
CAS Number:
1214351-07-1
Molecular Formula:
C7H6FNO3
Molecular Weight:
171.1258
IUPAC Name:
4-amino-N-(furan-2-ylmethyl)benzamide
InChI:
InChI=1S/C12H12N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8,13H2,(H,14,15)
InChI Key:
AABBIAOWKMFHJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)[nH]cc1F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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