Basic information
- CAS
364623-84-7- Standard SMILES
O=C(O)c1ccc(COc2ccc(Br)cc2)cc1- InChIKey
SBTXPVSBPVKUCV-UHFFFAOYSA-N- Molecular formula
- C14H11BrO3
- Average molar mass
- 307.14 g/mol
- Monoisotopic mass
- 305.98916
Names & identifiers
- Preferred name
- 4-[(4-Bromophenoxy)methyl]benzoic acid
- IUPAC
- 4-[(4-bromophenoxy)methyl]benzoic acid
- English name
- 4-(4-Bromo-phenoxymethyl)-benzoic acid
- Molecular formula
- C14H11BrO3
- Molecular weight
- 307.14
Names & synonyms
364623-84-74-[(4-Bromophenoxy)methyl]benzoic acid4-(4-bromophenoxymethyl)benzoic acid4-((4-Bromophenoxy)methyl)benzoic acid4-(4-Bromo-phenoxymethyl)-benzoic acidMFCD02090847CHEMBL4554741AK-968/41172224SCHEMBL24488963DTXSID70342848AKOS B000164SBTXPVSBPVKUCV-UHFFFAOYSA-N
Show more names
Benzoic acid, 4-[(4-bromophenoxy)methyl]-
ART-CHEM-BB B000164PPA62384BDBM50508806SBB019489STK074950AKOS0001037294-((4-Bromophenoxy)methyl)benzoicacidNCGC00321624-01
Database identifiers
- CAS
364623-84-7- PubChem CID
- 585035
- DTXSID
DTXSID70342848- ChEMBL
CHEMBL4554741
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers13 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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