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132381-82-9 | 1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-
CAS No: 132381-82-9 Catalog No: AG0010LS MDL No:
Product Description
Catalog Number:
AG0010LS
Chemical Name:
1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-
CAS Number:
132381-82-9
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
5-tert-butylbenzene-1,2,4-tricarbonitrile
InChI:
InChI=1S/C13H11N3/c1-13(2,3)12-5-10(7-15)9(6-14)4-11(12)8-16/h4-5H,1-3H3
InChI Key:
IJCHULPUWLBCND-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(cc1C#N)C#N)C(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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