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31009-33-3 | Quinoline, 4-bromo-6-fluoro-2-(trifluoromethyl)-
CAS No: 31009-33-3 Catalog No: AG0031X3 MDL No:MFCD11504912
Product Description
Catalog Number:
AG0031X3
Chemical Name:
Quinoline, 4-bromo-6-fluoro-2-(trifluoromethyl)-
CAS Number:
31009-33-3
Molecular Formula:
C10H4BrF4N
Molecular Weight:
294.0431
MDL Number:
MFCD11504912
IUPAC Name:
4-bromo-6-fluoro-2-(trifluoromethyl)quinoline
InChI:
InChI=1S/C10H4BrF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
InChI Key:
JMZGVHLYCHYQEH-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Br)cc(n2)C(F)(F)F
NSC Number:
142533
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.047g/mol
Monoisotopic Mass:
292.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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