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113710-34-2 | 1,1,2-Ethenetricarbonitrile, 2-[[3-(trifluoromethyl)phenyl]amino]-
CAS No: 113710-34-2 Catalog No: AG0009EW MDL No:MFCD00129440
Product Description
Catalog Number:
AG0009EW
Chemical Name:
1,1,2-Ethenetricarbonitrile, 2-[[3-(trifluoromethyl)phenyl]amino]-
CAS Number:
113710-34-2
Molecular Formula:
C12H5F3N4
Molecular Weight:
262.1901
MDL Number:
MFCD00129440
IUPAC Name:
2-[3-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C12H5F3N4/c13-12(14,15)9-2-1-3-10(4-9)19-11(7-18)8(5-16)6-17/h1-4,19H
InChI Key:
NHPLAKMRDIMLGZ-UHFFFAOYSA-N
SMILES:
N#CC(=C(C#N)C#N)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.195g/mol
Monoisotopic Mass:
262.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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