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74039-20-6 | 5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CAS No: 74039-20-6 Catalog No: AG005I76 MDL No:
Product Description
Catalog Number:
AG005I76
Chemical Name:
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CAS Number:
74039-20-6
Molecular Formula:
C5ClF5N2
Molecular Weight:
218.5119
IUPAC Name:
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C5ClF5N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7
InChI Key:
LTRDQYKIIGULAQ-UHFFFAOYSA-N
SMILES:
Fc1nc(F)c(c(n1)C(F)(F)F)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.511g/mol
Monoisotopic Mass:
217.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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