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168216-37-3 | 1,2-Benzenedicarbonitrile, (1,1-dimethylethyl)-
CAS No: 168216-37-3 Catalog No: AG001XWX MDL No:
Product Description
Catalog Number:
AG001XWX
Chemical Name:
1,2-Benzenedicarbonitrile, (1,1-dimethylethyl)-
CAS Number:
168216-37-3
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
3-tert-butylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C12H12N2/c1-12(2,3)11-6-4-5-9(7-13)10(11)8-14/h4-6H,1-3H3
InChI Key:
FXLRTHLOGAMQOH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C#N)C(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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