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821777-62-2 | Benzonitrile, 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS No: 821777-62-2 Catalog No: AG005ITA MDL No:
Product Description
Catalog Number:
AG005ITA
Chemical Name:
Benzonitrile, 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS Number:
821777-62-2
Molecular Formula:
C11H8F6N2
Molecular Weight:
282.1850
IUPAC Name:
4-[methyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C11H8F6N2/c1-19(6-10(12,13)14)8-3-2-7(5-18)9(4-8)11(15,16)17/h2-4H,6H2,1H3
InChI Key:
LSLGZOSPTHICNJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)N(CC(F)(F)F)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.189g/mol
Monoisotopic Mass:
282.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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