Basic information
- CAS
5411-53-0- Standard SMILES
Cc1cc(Br)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
DXYNGFFZOPEJPL-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O4
- Average molar mass
- 261.03 g/mol
- Monoisotopic mass
- 259.94327
Names & identifiers
- Preferred name
- 1-Bromo-5-methyl-2,4-dinitrobenzene
- IUPAC
- 1-bromo-5-methyl-2,4-dinitrobenzene
Names & synonyms
1-bromo-5-methyl-2,4-dinitrobenzene5411-53-05-Bromo-2,4-dinitrotoluene136833-29-9NSC10983SCHEMBL8793429SCHEMBL11427294DTXSID40968998DXYNGFFZOPEJPL-UHFFFAOYSA-NNSC-10983AKOS016000932DB-206734
Show more names
DB-337157C91641
Database identifiers
- CAS
5411-53-0- PubChem CID
- 223370
- DTXSID
DTXSID40968998
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
2 records
Compound notes
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