Basic information
- CAS
25699-77-8- Standard SMILES
O=[N+]([O-])c1cccc(-n2cnc3ccccc32)c1- InChIKey
YZJZOMBEMQCWAM-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.06947654
Names & identifiers
- Preferred name
- 1-(3-Nitrophenyl)-1h-benzo[d]imidazole
- IUPAC
- 1-(3-nitrophenyl)benzimidazole
- English name
- 1-(3-nitrophenyl)-1H-1,3-benzodiazole
- Molecular formula
- C13H9N3O2
- Molecular weight
- 239.23
Names & synonyms
1-(3-nitrophenyl)-1h-benzo[d]imidazole25699-77-81-(3-nitrophenyl)benzimidazole1-(3-nitrophenyl)-1H-1,3-benzodiazole1-Phenylbenzimidazole deriv. 321H-Benzimidazole, 1-(3-nitrophenyl)-1-(m-nitrophenyl)benzimidazoleBDBM3815CHEMBL435677SCHEMBL2308773SCHEMBL29449347DTXSID50416157
Show more names
YZJZOMBEMQCWAM-UHFFFAOYSA-NAKOS0159248501-(3-Nitrophenyl)-1H-1,3-benzimidazoleDB-362802I11733
Database identifiers
- CAS
25699-77-8- PubChem CID
- 5328443
- DTXSID
DTXSID50416157- ChEMBL
CHEMBL435677- Nikkaji
- J2.044.633A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Chemistry & industry
Suppliers4 total
南京友杰医药科技有限公司18860950986 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
2 records
Compound notes
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