Basic information
- CAS
17478-44-3- Standard SMILES
COc1ccc(C(Br)C(=O)O)cc1- InChIKey
QHYJNYKGUSUPMN-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 2-Bromo-2-(4-methoxyphenyl)acetic acid
- IUPAC
- 2-bromo-2-(4-methoxyphenyl)acetic acid
- English name
- 2-Bromo-4'-methoxyphenyl acetic acid
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
2-bromo-2-(4-methoxyphenyl)acetic acid17478-44-3Benzeneacetic acid, alpha-bromo-4-methoxy-2-BROMO-4/'-METHOXYPHENYL ACETIC ACIDbromo(4-methoxyphenyl)acetic acidNSC132001SCHEMBL983848DTXSID80299677MFCD259600592-bromo-2-(4-methoxyphenyl)aceticacidNSC-132001F52417
Show more names
(4-methoxyphenyl)bromoacetic acidα-Bromo-4′-methoxyphenyl acetic acidBenzeneacetic acid, α-bromo-4-methoxy-ALPHA-BROMO-(4-METHOXYPHENYL) ACETIC ACID METHYL ESTER
F535355
Database identifiers
- CAS
17478-44-3- PubChem CID
- 280398
- DTXSID
DTXSID80299677
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 337.2 · 337.2±32.0 °C(Predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Predicted)
- pka
- 2.55 · 2.55±0.10(Predicted)
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
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
- risk_code
- 22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
Chemistry & industry
Suppliers5 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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