Basic information
- CAS
143094-65-9- Standard SMILES
CCC(Oc1ccc(Br)cc1)C(=O)O- InChIKey
SOOHCBKDVIPIIJ-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 2-(4-Bromophenoxy)butanoic acid
- IUPAC
- 2-(4-bromophenoxy)butanoic acid
- English name
- AKOS B013883
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
2-(4-bromophenoxy)butanoic acid143094-65-9MFCD022957312-(4-bromophenoxy)butanoicacidSCHEMBL421329AKOS B013883SOOHCBKDVIPIIJ-UHFFFAOYSA-NDTXSID201303261ALBB-000863BBL036982SBB020801STK347151
Show more names
ART-CHEM-BB B013883Butanoic acid, 2-(4-bromophenoxy)-
AKOS000102268AKOS016345014(2RS)-2-(4-bromophenoxy)butyric acidNCGC00340523-01VS-13813CS-0215216ST45123237EN300-228629
Database identifiers
- CAS
143094-65-9- PubChem CID
- 15744116
- DTXSID
DTXSID201303261
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 351.8 · 351.8±17.0 °C(Predicted)
- Density
- 1.487 · 1.487±0.06 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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