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Home > Nitro Compounds > 3320-86-3
3320-86-3 | 2-NITROPHENYL ISOCYANATE
CAS No: 3320-86-3 Catalog No: AG003HSU MDL No:MFCD00007092
Product Description
Catalog Number:
AG003HSU
Chemical Name:
2-NITROPHENYL ISOCYANATE
CAS Number:
3320-86-3
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD00007092
IUPAC Name:
1-isocyanato-2-nitrobenzene
InChI:
InChI=1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H
InChI Key:
JRVZITODZAQRQM-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1[N+](=O)[O-]
EC Number:
222-024-2
NSC Number:
5384
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 1-Benzoyl-4-(2-nitro-phen-yl)semicarbazide. | Acta crystallographica. Section E, Structure reports online 20100501 |
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