Basic information
- CAS
6345-68-2- Standard SMILES
O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2)c1- InChIKey
QSHXUXBAVCVDPB-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO3
- Average molar mass
- 308.13 g/mol
- Monoisotopic mass
- 306.98440528
Names & identifiers
- Preferred name
- 3-Benzyloxy-4-bromonitrobenzene
- IUPAC
- 1-bromo-4-nitro-2-phenylmethoxybenzene
- English name
- 1-bromo-4-nitro-2-phenylmethoxy-benzene
- Molecular formula
- C13H10BrNO3
- Molecular weight
- 308.13
Names & synonyms
3-benzyloxy-4-bromonitrobenzene6345-68-2DTXSID10286050RefChem:277066DTXCID702372002-(benzyloxy)-1-bromo-4-nitrobenzene1-bromo-4-nitro-2-phenylmethoxybenzeneNSC43575SCHEMBL54403712-bromo-5-nitro-O-benzylphenolSCHEMBL31443830QSHXUXBAVCVDPB-UHFFFAOYSA-N
Show more names
1-bromo-4-nitro-2-phenylmethoxy-benzeneBenzene, 1-bromo-4-nitro-2-(phenylmethoxy)-
MFCD28047350NSC-43575SY273748A1-98956
Database identifiers
- CAS
6345-68-2- PubChem CID
- 238951
- DTXSID
DTXSID10286050
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 111.5 · 111.5-112.5 °C
- Boiling point
- 415.8 · 415.8±30.0 °C(Predicted)
- Density
- 1.524 · 1.524±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
上海百韧生物科技有限公司13564638271 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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