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821777-34-8 | Benzonitrile, 4-[(2,2-dimethylpropyl)amino]-2-(trifluoromethyl)-
CAS No: 821777-34-8 Catalog No: AG0051B5 MDL No:MFCD13216778
Product Description
Catalog Number:
AG0051B5
Chemical Name:
Benzonitrile, 4-[(2,2-dimethylpropyl)amino]-2-(trifluoromethyl)-
CAS Number:
821777-34-8
Molecular Formula:
C13H15F3N2
Molecular Weight:
256.2668
MDL Number:
MFCD13216778
IUPAC Name:
4-(2,2-dimethylpropylamino)-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C13H15F3N2/c1-12(2,3)8-18-10-5-4-9(7-17)11(6-10)13(14,15)16/h4-6,18H,8H2,1-3H3
InChI Key:
VVLDRTJYBABIAO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)NCC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.272g/mol
Monoisotopic Mass:
256.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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