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1214362-39-6 | 3-Pyridinecarboxylic acid, 2,5-difluoro-, methyl ester
CAS No: 1214362-39-6 Catalog No: AG0014WY MDL No:MFCD14698038
Product Description
Catalog Number:
AG0014WY
Chemical Name:
3-Pyridinecarboxylic acid, 2,5-difluoro-, methyl ester
CAS Number:
1214362-39-6
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD14698038
IUPAC Name:
methyl 2,5-difluoropyridine-3-carboxylate
InChI:
InChI=1S/C7H5F2NO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChI Key:
WONUWHYMFMRSOH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cnc1F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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