|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
3
Total Number of Articles : 3
|
| PubChem |
97234
|
| Molecular Formula |
C7H5N3O2 |
| SMILES |
C1=CC=C2C(=C1)NC(=N2)[N+](=O)[O-] |
| InChI |
InChI=1S/C7H5N3O2/c11-10(12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9) |
| synonyms |
- 5709-67-1
- 2-Nitrobenzimidazole
- 2-Nitro-1H-benzimidazole
- 1H-Benzimidazole, 2-nitro-
- CCRIS 3308
- Benzimidazole, 2-nitro-
- NSC 107509
- BRN 0957723
- DTXSID10205706
- 5-23-06-00279 (Beilstein Handbook Reference)
- DTXCID00128197
- 1H-Benzimidazole, 2-nitro-(9CI)
- 2-Nitro-1H-benzo[d]imidazole
- 2-NITRO-1H-1,3-BENZODIAZOLE
- 1H-Benzimidazole,2-nitro-(9CI)
- NITROBENZIMIDAZOLE
- MLS002703981
- SCHEMBL186382
- CHEMBL353153
- KRTDQDCPEZRVGC-UHFFFAOYSA-N
- FAA70967
- MFCD01658589
- NSC107509
- AKOS006280122
- NSC-107509
- BS-17673
- SMR000738758
- CS-0131011
- D82627
- EN300-1601859
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|
| Properties |
| Property |
Value |
| MW |
163.13 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
0 |
| Exact Mass |
163.038176411 g/mol |
| Monoisotopic Mass |
163.038176411 g/mol |
| Heavy Atom Count |
12 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
192 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
74.5 |
|