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1312535-76-4 | Pyrimidine, 2-chloro-4-methoxy-5-(trifluoromethyl)-
CAS No: 1312535-76-4 Catalog No: AG000VSP MDL No:
Product Description
Catalog Number:
AG000VSP
Chemical Name:
Pyrimidine, 2-chloro-4-methoxy-5-(trifluoromethyl)-
CAS Number:
1312535-76-4
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
IUPAC Name:
2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C6H4ClF3N2O/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3
InChI Key:
XXUSEPOFBSZNLR-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)ncc1C(F)(F)F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.556g/mol
Monoisotopic Mass:
211.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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