Basic information
- CAS
1039920-66-5- Standard SMILES
Nc1ccc(Oc2cccc(Br)c2)c(F)c1- InChIKey
ZXQXKGQSJLOELJ-UHFFFAOYSA-N- Molecular formula
- C12H9BrFNO
- Average molar mass
- 282.11 g/mol
- Monoisotopic mass
- 280.98515
Names & identifiers
- Preferred name
- 4-(3-Bromophenoxy)-3-fluoroaniline
- IUPAC
- 4-(3-bromophenoxy)-3-fluoroaniline
- English name
- 4-(3-bromophenoxy)-3-fluoroaniline
- Molecular formula
- C12H9BrFNO
- Molecular weight
- 282.11
Names & synonyms
4-(3-BROMOPHENOXY)-3-FLUOROANILINE1039920-66-5MFCD11193297DTXSID406518734-(3-bromophenoxy)-3-fluoro-anilineAKOS009260893BS-25757DB-252668CS-0211318Benzenamine, 4-(3-bromophenoxy)-3-fluoro-
Database identifiers
- CAS
1039920-66-5- PubChem CID
- 28972712
- DTXSID
DTXSID40651873
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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