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821776-98-1 | Benzonitrile, 4-(dibutylamino)-2-(trifluoromethyl)-
CAS No: 821776-98-1 Catalog No: AG0057WO MDL No:
Product Description
Catalog Number:
AG0057WO
Chemical Name:
Benzonitrile, 4-(dibutylamino)-2-(trifluoromethyl)-
CAS Number:
821776-98-1
Molecular Formula:
C16H21F3N2
Molecular Weight:
298.3465
IUPAC Name:
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C16H21F3N2/c1-3-5-9-21(10-6-4-2)14-8-7-13(12-20)15(11-14)16(17,18)19/h7-8,11H,3-6,9-10H2,1-2H3
InChI Key:
DROJJNYRJOQECY-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)C(F)(F)F)C#N)CCCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.166g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.353g/mol
Monoisotopic Mass:
298.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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