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821777-55-3 | Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS No: 821777-55-3 Catalog No: AG005ITB MDL No:
Product Description
Catalog Number:
AG005ITB
Chemical Name:
Benzonitrile, 4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)-
CAS Number:
821777-55-3
Molecular Formula:
C12H7F9N2
Molecular Weight:
350.1830
IUPAC Name:
4-[bis(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C12H7F9N2/c13-10(14,15)5-23(6-11(16,17)18)8-2-1-7(4-22)9(3-8)12(19,20)21/h1-3H,5-6H2
InChI Key:
OYFKBNSLEHOXOG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)N(CC(F)(F)F)CC(F)(F)F
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.188g/mol
Monoisotopic Mass:
350.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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