1,1'-Methylenebis[4-chloro-3-nitrobenzene]
Basic information
- CAS
2973-18-4- Standard SMILES
O=[N+]([O-])c1cc(Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl- InChIKey
BFRCBYDUAHQXHB-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O4
- Average molar mass
- 327.12 g/mol
- Monoisotopic mass
- 325.9861121
Names & identifiers
- Preferred name
- 1,1'-Methylenebis[4-chloro-3-nitrobenzene]
- IUPAC
- 1-chloro-4-[(4-chloro-3-nitrophenyl)methyl]-2-nitrobenzene
Names & synonyms
1,1'-Methylenebis(4-chloro-3-nitrobenzene)2973-18-41,1'-Methylenebis[4-chloro-3-nitrobenzene]RefChem:212401UNII-HJ1PBZ6DVENSC 77614BRN 2168611DTXSID2012675081,1a(2)-Methylenebis[4-chloro-3-nitrobenzene]3-05-00-01797 (Beilstein Handbook Reference)
Database identifiers
- CAS
2973-18-4、54616-45-4- PubChem CID
- 41136
- DTXSID
DTXSID201267508
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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