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Home > Nitro Compounds > 1984-23-2
1984-23-2 | Benzene, 1-isocyano-4-nitro-
CAS No: 1984-23-2 Catalog No: AG002BI2 MDL No:MFCD01937394
Product Description
Catalog Number:
AG002BI2
Chemical Name:
Benzene, 1-isocyano-4-nitro-
CAS Number:
1984-23-2
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD01937394
IUPAC Name:
1-isocyano-4-nitrobenzene
InChI:
InChI=1S/C7H4N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H
InChI Key:
WQFPYEBGLBCQOY-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| p-Nitrophenyl isocyanide. | Acta crystallographica. Section C, Crystal structure communications 20040601 |
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