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116289-35-1 | Quinoline, 3-bromo-4-chloro-7-(trifluoromethyl)-
CAS No: 116289-35-1 Catalog No: AG000C4W MDL No:
Product Description
Catalog Number:
AG000C4W
Chemical Name:
Quinoline, 3-bromo-4-chloro-7-(trifluoromethyl)-
CAS Number:
116289-35-1
Molecular Formula:
C10H4BrClF3N
Molecular Weight:
310.4977
IUPAC Name:
3-bromo-4-chloro-7-(trifluoromethyl)quinoline
InChI:
InChI=1S/C10H4BrClF3N/c11-7-4-16-8-3-5(10(13,14)15)1-2-6(8)9(7)12/h1-4H
InChI Key:
LCUMPHGOJOREKW-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1Cl)ccc(c2)C(F)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.917g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.498g/mol
Monoisotopic Mass:
308.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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