Basic information
- CAS
614-73-3- Standard SMILES
CCOc1ccccc1I- InChIKey
JUJREUXKABNEFA-UHFFFAOYSA-N- Molecular formula
- C8H9IO
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 247.96981291
Names & identifiers
- Preferred name
- Benzene, 1-ethoxy-2-iodo-
- IUPAC
- 1-ethoxy-2-iodobenzene
- English name
- Benzene, 1-ethoxy-2-iodo-
- Molecular formula
- C8H9IO
- Molecular weight
- 248.06
Names & synonyms
1-ethoxy-2-iodobenzene614-73-3Benzene, 1-ethoxy-2-iodo-o-JodphenetolethoxyiodobenzeneNSC9266Phenetole, o-iodo-,1-Ethoxy-2-iodo-benzeneSCHEMBL1589483SCHEMBL2971845SCHEMBL2971848SCHEMBL3149120
Show more names
SCHEMBL16950677SCHEMBL31498830DTXSID00210329JUJREUXKABNEFA-UHFFFAOYSA-NAAA61473NSC 9266NSC-9266MFCD12547815
Database identifiers
- CAS
614-73-3- PubChem CID
- 136415
- DTXSID
DTXSID00210329- Nikkaji
- J96.184A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Physicochemical properties
- Boiling point
- 250 °C · 250°C (rough estimate)
- Density
- 1.6502 · 1.6502 (estimate)
Chemistry & industry
Suppliers6 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
南京代盟化工有限公司02566880956 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [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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