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1155598-43-8 | Pyrimidine, 4-chloro-2-[2-(trifluoromethyl)phenyl]-
CAS No: 1155598-43-8 Catalog No: AG000G4V MDL No:
Product Description
Catalog Number:
AG000G4V
Chemical Name:
Pyrimidine, 4-chloro-2-[2-(trifluoromethyl)phenyl]-
CAS Number:
1155598-43-8
Molecular Formula:
C11H6ClF3N2
Molecular Weight:
258.6269
IUPAC Name:
4-chloro-2-[2-(trifluoromethyl)phenyl]pyrimidine
InChI:
InChI=1S/C11H6ClF3N2/c12-9-5-6-16-10(17-9)7-3-1-2-4-8(7)11(13,14)15/h1-6H
InChI Key:
OISNPCYROQGQAZ-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)c1ccccc1C(F)(F)F
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.628g/mol
Monoisotopic Mass:
258.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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