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156170-45-5 | 1,1,2-Ethanetricarbonitrile, 2-(4-aminophenyl)-
CAS No: 156170-45-5 Catalog No: AG001OKG MDL No:
Product Description
Catalog Number:
AG001OKG
Chemical Name:
1,1,2-Ethanetricarbonitrile, 2-(4-aminophenyl)-
CAS Number:
156170-45-5
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
2-(4-aminophenyl)ethane-1,1,2-tricarbonitrile
InChI:
InChI=1S/C11H8N4/c12-5-9(6-13)11(7-14)8-1-3-10(15)4-2-8/h1-4,9,11H,15H2
InChI Key:
YXLIYSGIOSMNSQ-UHFFFAOYSA-N
SMILES:
N#CC(C(C#N)C#N)c1ccc(cc1)N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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