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157301-81-0 | 3-Quinolinecarbonitrile, 4-chloro-7-(trifluoromethyl)-
CAS No: 157301-81-0 Catalog No: AG001PCT MDL No:
Product Description
Catalog Number:
AG001PCT
Chemical Name:
3-Quinolinecarbonitrile, 4-chloro-7-(trifluoromethyl)-
CAS Number:
157301-81-0
Molecular Formula:
C11H4ClF3N2
Molecular Weight:
256.6111
IUPAC Name:
4-chloro-7-(trifluoromethyl)quinoline-3-carbonitrile
InChI:
InChI=1S/C11H4ClF3N2/c12-10-6(4-16)5-17-9-3-7(11(13,14)15)1-2-8(9)10/h1-3,5H
InChI Key:
AOFHTWFQIYUQSG-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1Cl)ccc(c2)C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.612g/mol
Monoisotopic Mass:
256.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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