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Home > Nitro Compounds > 618-94-0
618-94-0 | 3-Nitrobenzohydrazide
CAS No: 618-94-0 Catalog No: AG003JT5 MDL No:MFCD00017059
Product Description
Catalog Number:
AG003JT5
Chemical Name:
3-Nitrobenzohydrazide
CAS Number:
618-94-0
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD00017059
IUPAC Name:
3-nitrobenzohydrazide
InChI:
InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
InChI Key:
NQEWXLVDAVTOHM-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
210-572-5
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| (E)-3-Nitro-N'-(3-nitro-benzyl-idene)-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20120301 |
| (E)-N'-(3-Fluoro-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20120301 |
| (E)-N'-(4-Hy-droxy-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20120101 |
| N'-(2-Hy-droxy-4-meth-oxy-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20111101 |
| N'-(5-Bromo-2-hy-droxy-benzyl-idene)-3-nitro-benzohydrazide methanol mono-solvate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| (E)-N'-(4-Meth-oxy-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110801 |
| (E)-N'-(2-Meth-oxy-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110801 |
| (E)-N'-(3-Hy-droxy-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110101 |
| (E)-N'-(2,4-Dichloro-benzyl-idene)-3-nitro-benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20101201 |
| Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives. | Journal of medicinal chemistry 20040715 |
| Inhibition of myeloperoxidase by benzoic acid hydrazides. | The Biochemical journal 19950601 |
| Chemotherapy of experimental tuberculosis. V. Isonicotinic acid hydrazide (nydrazid) and related compounds. | American review of tuberculosis 19520401 |
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