Benzoic acid, 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)ethenyl)-
Basic information
- CAS
61257-43-0- Standard SMILES
Cc1ccc2oc(-c3ccc(C=Cc4ccc(C(=O)O)cc4)cc3)nc2c1- InChIKey
FFTHGPXRVMFOIC-UHFFFAOYSA-N- Molecular formula
- C23H17NO3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.1208434
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)ethenyl)-
- IUPAC
- 4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic acid
Names & synonyms
EINECS 262-674-44'-(5-Methylbenzoxazol-2-yl)stilbene-4-carboxylic acidBenzoic acid, 4-(2-(4-(5-methyl-2-benzoxazolyl)phenyl)ethenyl)-Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-p-(o-(4-(5-Methylbenzoxazol-2-yl)phenyl)vinyl)benzoic acidP-[o-[4-(5-methylbenzoxazol-2-yl)phenyl]vinyl]benzoic acidDTXSID5069461RefChem:565883DTXCID6042993262-674-461257-43-0FFTHGPXRVMFOIC-UHFFFAOYSA-N
Database identifiers
- CAS
61257-43-0- PubChem CID
- 108541
- DTXSID
DTXSID5069461- EC Number
- 262-674-4
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: p-[o-[4-(5-methylbenzoxazol-2-yl)phenyl]vinyl]benzoic acid (EC: 262-674-4)
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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