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1018678-39-1 | 3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-
CAS No: 1018678-39-1 Catalog No: AG0005S4 MDL No:MFCD22546902
Product Description
Catalog Number:
AG0005S4
Chemical Name:
3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-
CAS Number:
1018678-39-1
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD22546902
IUPAC Name:
4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)
InChI Key:
LORVMHLMFSWALD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccnc1C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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