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1227587-24-7 | 4-Pyridinecarboxylic acid, 2-chloro-3-(trifluoromethyl)-
CAS No: 1227587-24-7 Catalog No: AG000JDM MDL No:MFCD16610711
Product Description
Catalog Number:
AG000JDM
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-3-(trifluoromethyl)-
CAS Number:
1227587-24-7
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD16610711
IUPAC Name:
2-chloro-3-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)3(6(13)14)1-2-12-5/h1-2H,(H,13,14)
InChI Key:
DIPOFUPESWIQSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1C(F)(F)F)Cl
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:
2.2
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