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1159819-79-0 | Pyrimidine, 4-chloro-2-cyclopropyl-6-[2-(trifluoromethyl)phenyl]-
CAS No: 1159819-79-0 Catalog No: AG000HAC MDL No:
Product Description
Catalog Number:
AG000HAC
Chemical Name:
Pyrimidine, 4-chloro-2-cyclopropyl-6-[2-(trifluoromethyl)phenyl]-
CAS Number:
1159819-79-0
Molecular Formula:
C14H10ClF3N2
Molecular Weight:
298.6908
IUPAC Name:
4-chloro-2-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
InChI:
InChI=1S/C14H10ClF3N2/c15-12-7-11(19-13(20-12)8-5-6-8)9-3-1-2-4-10(9)14(16,17)18/h1-4,7-8H,5-6H2
InChI Key:
XOZJYUKFNRCJFA-UHFFFAOYSA-N
SMILES:
Clc1nc(nc(c1)c1ccccc1C(F)(F)F)C1CC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.693g/mol
Monoisotopic Mass:
298.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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