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1214376-03-0 | 3-Pyridinecarboxylic acid, 2,5-difluoro-, ethyl ester
CAS No: 1214376-03-0 Catalog No: AG0014YD MDL No:
Product Description
Catalog Number:
AG0014YD
Chemical Name:
3-Pyridinecarboxylic acid, 2,5-difluoro-, ethyl ester
CAS Number:
1214376-03-0
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
IUPAC Name:
ethyl 2,5-difluoropyridine-3-carboxylate
InChI:
InChI=1S/C8H7F2NO2/c1-2-13-8(12)6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3
InChI Key:
OHBLTSBURMJXRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)cnc1F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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