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1256818-14-0 | 4-Pyridinecarboxylic acid, 2-(difluoromethyl)-
CAS No: 1256818-14-0 Catalog No: AG000OFE MDL No:MFCD18256212
Product Description
Catalog Number:
AG000OFE
Chemical Name:
4-Pyridinecarboxylic acid, 2-(difluoromethyl)-
CAS Number:
1256818-14-0
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD18256212
IUPAC Name:
2-(difluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H5F2NO2/c8-6(9)5-3-4(7(11)12)1-2-10-5/h1-3,6H,(H,11,12)
InChI Key:
XBLKYGVQHXXTDM-UHFFFAOYSA-N
SMILES:
FC(c1nccc(c1)C(=O)O)F
Properties
Complexity:
175
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:
1
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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