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1416373-79-9 | Pyrimidine, 4-chloro-2-(1-methyl-1H-imidazol-2-yl)-6-(trifluoromethyl)-
CAS No: 1416373-79-9 Catalog No: AG001GQR MDL No:MFCD23099420
Product Description
Catalog Number:
AG001GQR
Chemical Name:
Pyrimidine, 4-chloro-2-(1-methyl-1H-imidazol-2-yl)-6-(trifluoromethyl)-
CAS Number:
1416373-79-9
Molecular Formula:
C9H6ClF3N4
Molecular Weight:
262.6189
MDL Number:
MFCD23099420
IUPAC Name:
4-chloro-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C9H6ClF3N4/c1-17-3-2-14-8(17)7-15-5(9(11,12)13)4-6(10)16-7/h2-4H,1H3
InChI Key:
PDJBPTPSUYFDIO-UHFFFAOYSA-N
SMILES:
Clc1cc(nc(n1)c1nccn1C)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.62g/mol
Monoisotopic Mass:
262.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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