Basic information
- CAS
56894-29-2- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCCCl- InChIKey
JCQFIQJFPHTLGY-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3O2
- Average molar mass
- 203.62 g/mol
- Monoisotopic mass
- 203.0461543
Names & identifiers
- Preferred name
- 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole
- IUPAC
- 1-(3-chloropropyl)-2-methyl-5-nitroimidazole
- English name
- 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole
- Molecular formula
- C7H10ClN3O2
- Molecular weight
- 203.63
Names & synonyms
56894-29-21-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazoleEINECS 260-421-2DTXSID20205419RefChem:74320DTXCID70127910260-421-21-(3-chloropropyl)-2-methyl-5-nitroimidazoleXAJ449L4VRSCHEMBL11830546JCQFIQJFPHTLGY-UHFFFAOYSA-NDA-31199
Show more names
NS000335991H-Imidazole, 1-(3-chloropropyl)-2-methyl-5-nitro-
Database identifiers
- CAS
56894-29-2- PubChem CID
- 92560
- DTXSID
DTXSID20205419- UNII
- XAJ449L4VR
- EC Number
- 260-421-2
- Nikkaji
- J267.128J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 381 · 381.0±22.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 2.71 · 2.71±0.34(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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