Basic information
- CAS
885519-15-3- Standard SMILES
Cc1c(I)cc(Br)cc1[N+](=O)[O-]- InChIKey
DJUBNZOEBVGNEZ-UHFFFAOYSA-N- Molecular formula
- C7H5BrINO2
- Average molar mass
- 341.93 g/mol
- Monoisotopic mass
- 340.85484
Names & identifiers
- Preferred name
- 5-Bromo-1-iodo-2-methyl-3-nitrobenzene
- IUPAC
- 5-bromo-1-iodo-2-methyl-3-nitrobenzene
- English name
- 5-BroMo-1-iodo-2-Methyl-3-nitrobenzene
- Molecular formula
- C7H5BrINO2
- Molecular weight
- 341.93
Names & synonyms
5-Bromo-1-iodo-2-methyl-3-nitrobenzene885519-15-3MFCD077813575-bromo-1-iodo-2-methyl-3-nitro-benzene4-Bromo-2-iodo-6-nitrotolueneSCHEMBL17770642SCHEMBL31423032DTXSID30646172DB-205771F13793A1-38864Benzene, 5-bromo-1-iodo-2-methyl-3-nitro-
Database identifiers
- CAS
885519-15-3- PubChem CID
- 24728107
- DTXSID
DTXSID30646172
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 333.6 · 333.6±42.0 °C(Predicted)
- Density
- 2.194 · 2.194±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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