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887592-32-7 | 7-Bromo-4-chloro-2-(trifluoromethyl);quinazoline
CAS No: 887592-32-7 Catalog No: AG004BBU MDL No:MFCD06657220
Product Description
Catalog Number:
AG004BBU
Chemical Name:
7-Bromo-4-chloro-2-(trifluoromethyl);quinazoline
CAS Number:
887592-32-7
Molecular Formula:
C9H3BrClF3N2
Molecular Weight:
311.4857
MDL Number:
MFCD06657220
IUPAC Name:
7-bromo-4-chloro-2-(trifluoromethyl)quinazoline
InChI:
InChI=1S/C9H3BrClF3N2/c10-4-1-2-5-6(3-4)15-8(9(12,13)14)16-7(5)11/h1-3H
InChI Key:
VUSHNWRGQDDPJU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(nc2Cl)C(F)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.912g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.486g/mol
Monoisotopic Mass:
309.912g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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