Benzoxazole, 2-heptyl-
Basic information
- CAS
6797-17-7- Standard SMILES
CCCCCCCc1nc2ccccc2o1- InChIKey
PXUGHSBJSXMHAB-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- Benzoxazole, 2-heptyl-
- IUPAC
- 2-heptyl-1,3-benzoxazole
Names & synonyms
BENZOXAZOLE, 2-HEPTYL-2-n-Heptyl-benzoxazoleBRN 01411786797-17-7DTXSID402181624-27-00-01130 (Beilstein Handbook Reference)RefChem:328269DTXCID601406532-heptyl-1,3-benzoxazoleSCHEMBL28018741
Database identifiers
- CAS
6797-17-7- PubChem CID
- 23241
- DTXSID
DTXSID40218162- Nikkaji
- J41.887K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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