5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Basic information
- CAS
51234-70-9- Standard SMILES
CC(C(=O)O)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1- InChIKey
IWQDAJHWXYWODB-UHFFFAOYSA-N- Molecular formula
- C17H12F3NO3
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.07692773
Names & identifiers
- Preferred name
- 5-Benzoxazoleacetic acid, alpha-methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- 2-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propanoic acid
- English name
- α-Methyl-2-[3-(trifluoromethyl)phenyl]-5-benzoxazoleacetic acid
- Molecular formula
- C17H12F3NO3
- Molecular weight
- 335.28
Names & synonyms
BRN 108959851234-70-9alpha-Methyl-2-(3-trifluoromethylphenyl)-5-benzoxazoleacetic acid5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-RefChem:301274DTXSID909655182-{2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl}propanoic acidα-Methyl-2-[3-(trifluoromethyl)phenyl]-5-benzoxazoleacetic acid5-Benzoxazoleacetic acid, α-methyl-2-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
51234-70-9- PubChem CID
- 39955
- DTXSID
DTXSID90965518- Nikkaji
- J67.881C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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