Basic information
- CAS
41388-50-5- Standard SMILES
C=CCOc1cccc(Br)c1- InChIKey
FIXOLQLLJSDRBF-UHFFFAOYSA-N- Molecular formula
- C9H9BrO
- Average molar mass
- 213.07 g/mol
- Monoisotopic mass
- 211.98367701
Names & identifiers
- Preferred name
- Allyl m-bromophenyl ether
- IUPAC
- 1-bromo-3-prop-2-enoxybenzene
- English name
- 1-(allyloxy)-3-bromobenzene
- Molecular formula
- C9H9BrO
- Molecular weight
- 213.07
Names & synonyms
41388-50-51-(allyloxy)-3-bromobenzeneallyl m-bromophenyl etherallyl (3-bromophenyl) etherDTXSID90292952(3-bromophenyl) (2-propenyl) etherbenzene, 1-bromo-3-(2-propenyloxy)-RefChem:318079DTXCID50244093InChI=1/C9H9BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H1-allyloxy-3-bromobenzene1-bromo-3-prop-2-enoxybenzene
Show more names
1-Bromo-3-(2-propen-1-yloxy)benzeneBenzene, 1-bromo-3-(2-propen-1-yloxy)-
MFCD00297267starbld00257773-(allyloxy)bromobenzeneallyl 3-bromophenyl ether1-allyloxy-3-bromo-benzene1-BROMO-3-(PROP-2-EN-1-YLOXY)BENZENENCIOpen2_005074SCHEMBL472525
Database identifiers
- CAS
41388-50-5- PubChem CID
- 257945
- DTXSID
DTXSID90292952- Nikkaji
- J283.495B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 105 · 105-106 °C(Press: 5.5 Torr)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
18 records
Compound notes
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