Basic information
- CAS
3958-56-3- Standard SMILES
O=[N+]([O-])c1cccc(CI)c1- InChIKey
VMRVVTVWRDVDAM-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
- Monoisotopic mass
- 262.94433
Names & identifiers
- Preferred name
- alpha-Iodo-m-nitrotoluene
- IUPAC
- 1-(iodomethyl)-3-nitrobenzene
- English name
- alpha-iodo-m-nitrotoluene
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03251
Names & synonyms
alpha-Iodo-m-nitrotoluene3958-56-33-Nitrobenzyl iodide1-(Iodomethyl)-3-nitrobenzenem-NitrobenzyliodideEINECS 223-556-8SCHEMBL228816SCHEMBL7940300SCHEMBL28019580SCHEMBL30123489DTXSID20192698VMRVVTVWRDVDAM-UHFFFAOYSA-N
Show more names
α-iodo-m-nitrotoluene1-Nitro-3-(iodomethyl)benzene
1-(Iodomethyl)-3-nitrobenzene #Benzene, 1-(iodomethyl)-3-nitro-AKOS014117786NS00048768
Database identifiers
- CAS
3958-56-3- PubChem CID
- 77567
- DTXSID
DTXSID20192698- EC Number
- 223-556-8
- Nikkaji
- J217.789G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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