Basic information
- CAS
144037-39-8- Standard SMILES
Clc1ccc2oc(CCc3ccccc3)nc2c1- InChIKey
AVBIFDFYSNAAHE-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Names & identifiers
- Preferred name
- Benzoxazole, 5-chloro-2-(2-phenylethyl)-
- IUPAC
- 5-chloro-2-(2-phenylethyl)-1,3-benzoxazole
Names & synonyms
Benzoxazole, 5-chloro-2-(2-phenylethyl)-144037-39-8DTXSID20328016RefChem:328279DTXCID902791275-chloro-2-(2-phenylethyl)-1,3-benzoxazoleNSC7152685-chloro-2-phenethyl-1,3-benzoxazoleCHEMBL19721035-chloro-2-phenylethylbenzo[d]oxazoleNSC-715268NCI60_039811
Database identifiers
- CAS
144037-39-8- PubChem CID
- 401573
- DTXSID
DTXSID20328016- ChEMBL
CHEMBL1972103- Nikkaji
- J501.363A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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