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188781-46-6 | 5-Pyrimidinecarboxylic acid, 2,4-bis(trifluoromethyl)-
CAS No: 188781-46-6 Catalog No: AG002HBC MDL No:MFCD10697912
Product Description
Catalog Number:
AG002HBC
Chemical Name:
5-Pyrimidinecarboxylic acid, 2,4-bis(trifluoromethyl)-
CAS Number:
188781-46-6
Molecular Formula:
C7H2F6N2O2
Molecular Weight:
260.0934
MDL Number:
MFCD10697912
IUPAC Name:
2,4-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H2F6N2O2/c8-6(9,10)3-2(4(16)17)1-14-5(15-3)7(11,12)13/h1H,(H,16,17)
InChI Key:
RUHKDOFTFCXTBX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.095g/mol
Monoisotopic Mass:
260.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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