Home Nitriles 4-isocyanatobenzene-1,2-dicarbonitrile

4-isocyanatobenzene-1,2-dicarbonitrile

CAS No.:
342617-80-5
Catalog Number:
AG01C161
Molecular Formula:
C9H3N3O
Molecular Weight:
169.1396
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Product Description
Catalog Number:
AG01C161
Chemical Name:
4-isocyanatobenzene-1,2-dicarbonitrile
CAS Number:
342617-80-5
Molecular Formula:
C9H3N3O
Molecular Weight:
169.1396
MDL Number:
MFCD29041294
IUPAC Name:
4-isocyanatobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C9H3N3O/c10-4-7-1-2-9(12-6-13)3-8(7)5-11/h1-3H
InChI Key:
CSBWNMCRMYMZMS-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C#N)C#N
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.143g/mol
Monoisotopic Mass:
169.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties