Basic information
- CAS
181288-85-7- Standard SMILES
COCOc1cc(Cl)c(F)cc1Br- InChIKey
REXPQGVCBFPARN-UHFFFAOYSA-N- Molecular formula
- C8H7BrClFO2
- Average molar mass
- 269.49 g/mol
- Monoisotopic mass
- 267.9302
Names & identifiers
- Preferred name
- 1-Bromo-4-chloro-5-fluoro-2-(methoxymethoxy)benzene
- IUPAC
- 1-bromo-4-chloro-5-fluoro-2-(methoxymethoxy)benzene
- English name
- Benzene, 1-bromo-4-chloro-5-fluoro-2-(methoxymethoxy)-
- Molecular formula
- C8H7BrClFO2
- Molecular weight
- 269.5
Names & synonyms
181288-85-71-bromo-4-chloro-5-fluoro-2-(methoxymethoxy)benzeneBenzene, 1-bromo-4-chloro-5-fluoro-2-(methoxymethoxy)-SCHEMBL4520961SCHEMBL29447054DTXSID30710140REXPQGVCBFPARN-UHFFFAOYSA-NMFCD34761023DB-162452H80759
Database identifiers
- CAS
181288-85-7- PubChem CID
- 54263154
- DTXSID
DTXSID30710140
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 293.6 · 293.6±40.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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