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1256794-35-0 | 3-Pyridinecarboxylic acid, 6-chloro-2-(difluoromethyl)-
CAS No: 1256794-35-0 Catalog No: AG000OCY MDL No:MFCD18258345
Product Description
Catalog Number:
AG000OCY
Chemical Name:
3-Pyridinecarboxylic acid, 6-chloro-2-(difluoromethyl)-
CAS Number:
1256794-35-0
Molecular Formula:
C7H4ClF2NO2
Molecular Weight:
207.5620
MDL Number:
MFCD18258345
IUPAC Name:
6-chloro-2-(difluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4ClF2NO2/c8-4-2-1-3(7(12)13)5(11-4)6(9)10/h1-2,6H,(H,12,13)
InChI Key:
JBVCDYPLKCPGFA-UHFFFAOYSA-N
SMILES:
FC(c1nc(Cl)ccc1C(=O)O)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.561g/mol
Monoisotopic Mass:
206.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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