Basic information
- CAS
611-38-1- Standard SMILES
O=[N+]([O-])C(c1ccccc1)[N+](=O)[O-]- InChIKey
VMMLSJNPNVTYMN-UHFFFAOYSA-N- Molecular formula
- C7H6N2O4
- Average molar mass
- 182.13 g/mol
- Monoisotopic mass
- 182.03275668
Names & identifiers
- Preferred name
- (Dinitromethyl)benzene
- IUPAC
- dinitromethylbenzene
- English name
- (Dinitromethyl)benzene
- Molecular formula
- C7H6N2O4
- Molecular weight
- 182.13
Names & synonyms
(Dinitromethyl)benzene611-38-1phenyldinitromethaneDinitrotoluene-NSC53381Benzene, dinitromethylSCHEMBL146897SCHEMBL566065SCHEMBL3420207CHEMBL4170899DTXSID10209981VMMLSJNPNVTYMN-UHFFFAOYSA-N
Show more names
Benzene, (dinitromethyl)-
NSC 53381NSC-53381
Database identifiers
- CAS
611-38-1- PubChem CID
- 136409
- DTXSID
DTXSID10209981- ChEMBL
CHEMBL4170899- Nikkaji
- J141.331G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Chemistry & industry
Suppliers1 total
湖北众禾医药科技有限公司13817642633 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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