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1514-96-1 | Pyrimidine, 4-chloro-2-(trifluoromethyl)-
CAS No: 1514-96-1 Catalog No: AG001NBM MDL No:MFCD06411632
Product Description
Catalog Number:
AG001NBM
Chemical Name:
Pyrimidine, 4-chloro-2-(trifluoromethyl)-
CAS Number:
1514-96-1
Molecular Formula:
C5H2ClF3N2
Molecular Weight:
182.5310
MDL Number:
MFCD06411632
IUPAC Name:
4-chloro-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChI Key:
OVEGSCLVOXWLIV-UHFFFAOYSA-N
SMILES:
FC(c1nccc(n1)Cl)(F)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.53g/mol
Monoisotopic Mass:
181.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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