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1240598-08-6 | 2-Pyrimidinamine, 5-bromo-4-chloro-6-(trifluoromethyl)-
CAS No: 1240598-08-6 Catalog No: AG000LH3 MDL No:MFCD16988245
Product Description
Catalog Number:
AG000LH3
Chemical Name:
2-Pyrimidinamine, 5-bromo-4-chloro-6-(trifluoromethyl)-
CAS Number:
1240598-08-6
Molecular Formula:
C5H2BrClF3N3
Molecular Weight:
276.4417
MDL Number:
MFCD16988245
IUPAC Name:
5-bromo-4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
InChI:
InChI=1S/C5H2BrClF3N3/c6-1-2(5(8,9)10)12-4(11)13-3(1)7/h(H2,11,12,13)
InChI Key:
ICGLIQCZSQPZFY-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c(c(n1)C(F)(F)F)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.907g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.441g/mol
Monoisotopic Mass:
274.907g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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