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1256804-49-5 | 2-Pyridinecarboxylic acid, 4-(difluoromethyl)-
CAS No: 1256804-49-5 Catalog No: AG000OE3 MDL No:MFCD18256210
Product Description
Catalog Number:
AG000OE3
Chemical Name:
2-Pyridinecarboxylic acid, 4-(difluoromethyl)-
CAS Number:
1256804-49-5
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD18256210
IUPAC Name:
4-(difluoromethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-5(3-4)7(11)12/h1-3,6H,(H,11,12)
InChI Key:
LBKZMIRLIORABF-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(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:
1.3
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