5-Benzoxazoleacetic acid, 2-(3,4-dichlorophenyl)-alpha-methyl-
Basic information
- CAS
51234-65-2- Standard SMILES
CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1- InChIKey
IESVGUSNDICIGM-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2NO3
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0115986
Names & identifiers
- Preferred name
- 5-Benzoxazoleacetic acid, 2-(3,4-dichlorophenyl)-alpha-methyl-
- IUPAC
- 2-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- 2-(3,4-Dichlorophenyl)-α-methyl-5-benzoxazoleacetic acid
- Molecular formula
- C16H11Cl2NO3
- Molecular weight
- 336.17
Names & synonyms
BRN 10866842-(3,4-Dichlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid51234-65-25-BENZOXAZOLEACETIC ACID, 2-(3,4-DICHLOROPHENYL)-alpha-METHYL-RefChem:3012592-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]propanoic acidDTXSID709655162-(3,4-Dichlorophenyl)-α-methyl-5-benzoxazoleacetic acid5-Benzoxazoleacetic acid, 2-(3,4-dichlorophenyl)-α-methyl-
Database identifiers
- CAS
51234-65-2- PubChem CID
- 39953
- DTXSID
DTXSID70965516- Nikkaji
- J67.864C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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