n-Benzyl oxymethyl-4-nitro-imidazole
Basic information
- CAS
669713-66-0- Standard SMILES
O=[N+]([O-])c1cn(COCc2ccccc2)cn1- InChIKey
TXXYYOUBDOAQDT-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- n-Benzyl oxymethyl-4-nitro-imidazole
- IUPAC
- 4-nitro-1-(phenylmethoxymethyl)imidazole
- English name
- N-Benzyl oxymethyl-4-nitro-imidazole
- Molecular formula
- C11H11N3O3
- Molecular weight
- 233.22
Names & synonyms
669713-66-0n-benzyl oxymethyl-4-nitro-imidazole1-((Benzyloxy)methyl)-4-nitro-1H-imidazoleN-Benzyloxymethyl-4-nitroimidazolen-benzyloxymethyl-4-nitro-imidazole4-nitro-1-(phenylmethoxymethyl)imidazoleMFCD007981671-[(benzyloxy)methyl]-4-nitro-1H-imidazole1-benzyloxymethyl-4-nitro-1h-imidazoleSCHEMBL31655424DTXSID003734631-(benzyloxymethyl)-4-nitro-imidazole
Show more names
1H-Imidazole, 4-nitro-1-[(phenylmethoxy)methyl]-
AKOS025394800AS-38447DB-371404CS-0171397F011434Z1673224805
Database identifiers
- CAS
669713-66-0- PubChem CID
- 2756643
- DTXSID
DTXSID00373463
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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