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198404-35-2 | Pyrimidine, 5-(bromomethyl)-2-(trifluoromethyl)-
CAS No: 198404-35-2 Catalog No: AG002BHL MDL No:MFCD11042581
Product Description
Catalog Number:
AG002BHL
Chemical Name:
Pyrimidine, 5-(bromomethyl)-2-(trifluoromethyl)-
CAS Number:
198404-35-2
Molecular Formula:
C6H4BrF3N2
Molecular Weight:
241.0086
MDL Number:
MFCD11042581
IUPAC Name:
5-(bromomethyl)-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2
InChI Key:
LAZGEURDWNHKNA-UHFFFAOYSA-N
SMILES:
BrCc1cnc(nc1)C(F)(F)F
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.011g/mol
Monoisotopic Mass:
239.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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