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1379352-61-0 | 4-Pyrimidinamine, 5-bromo-2-(trifluoromethyl)-
CAS No: 1379352-61-0 Catalog No: AG0017OH MDL No:
Product Description
Catalog Number:
AG0017OH
Chemical Name:
4-Pyrimidinamine, 5-bromo-2-(trifluoromethyl)-
CAS Number:
1379352-61-0
Molecular Formula:
C5H3BrF3N3
Molecular Weight:
241.9966
IUPAC Name:
5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
InChI:
InChI=1S/C5H3BrF3N3/c6-2-1-11-4(5(7,8)9)12-3(2)10/h1H,(H2,10,11,12)
InChI Key:
DZWBVYLQAPRBOZ-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1N)C(F)(F)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.999g/mol
Monoisotopic Mass:
240.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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