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845618-08-8 | 5-Chloro-2-(trifluoromethyl);pyrimidine
CAS No: 845618-08-8 Catalog No: AG004UQ5 MDL No:MFCD09754045
Product Description
Catalog Number:
AG004UQ5
Chemical Name:
5-Chloro-2-(trifluoromethyl);pyrimidine
CAS Number:
845618-08-8
Molecular Formula:
C5H2ClF3N2
Molecular Weight:
182.5310
MDL Number:
MFCD09754045
IUPAC Name:
5-chloro-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C5H2ClF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
InChI Key:
MXCKWZRZRRBNMX-UHFFFAOYSA-N
SMILES:
FC(c1ncc(cn1)Cl)(F)F
Properties
Complexity:
130
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:
1.8
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