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306960-80-5 | 4-Pyrimidinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
CAS No: 306960-80-5 Catalog No: AG0030YO MDL No:MFCD10697913
Product Description
Catalog Number:
AG0030YO
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
CAS Number:
306960-80-5
Molecular Formula:
C6H2ClF3N2O2
Molecular Weight:
226.5405
MDL Number:
MFCD10697913
IUPAC Name:
2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H2ClF3N2O2/c7-5-11-2(4(13)14)1-3(12-5)6(8,9)10/h1H,(H,13,14)
InChI Key:
NRCWKOWKCBXOBR-UHFFFAOYSA-N
SMILES:
Clc1nc(cc(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.539g/mol
Monoisotopic Mass:
225.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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