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1483-43-8 | 1,3-Benzenedicarbonitrile, 4-(trifluoromethyl)-
CAS No: 1483-43-8 Catalog No: AG001FLZ MDL No:MFCD09839224
Product Description
Catalog Number:
AG001FLZ
Chemical Name:
1,3-Benzenedicarbonitrile, 4-(trifluoromethyl)-
CAS Number:
1483-43-8
Molecular Formula:
C9H3F3N2
Molecular Weight:
196.1287
MDL Number:
MFCD09839224
IUPAC Name:
4-(trifluoromethyl)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C9H3F3N2/c10-9(11,12)8-2-1-6(4-13)3-7(8)5-14/h1-3H
InChI Key:
WPRVYAKAXNCOKR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)ccc1C(F)(F)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.132g/mol
Monoisotopic Mass:
196.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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