Basic information
- CAS
96330-25-5- Standard SMILES
Oc1ccc(-c2onc3ccc(Br)cc23)cc1- InChIKey
CVTWFZAZQHJATC-UHFFFAOYSA-N- Molecular formula
- C13H8BrNO2
- Average molar mass
- 290.11 g/mol
- Monoisotopic mass
- 288.97384
Names & identifiers
- Preferred name
- 4-(5-bromo-2,1-benzisoxazol-3-yl)-Phenol
- IUPAC
- 4-(5-bromo-2,1-benzoxazol-3-yl)phenol
- English name
- Phenol, 4-(5-broMo-2,1-benzisoxazol-3-yl)-
- Molecular formula
- C13H8BrNO2
- Molecular weight
- 290.11
Names & synonyms
96330-25-54-(5-bromo-2,1-benzisoxazol-3-yl)-Phenol4-(5-Bromo-2,1-benzoxazol-3-yl)phenol4-(5-bromo-2,1-benzisoxazol-3-yl)PhenolPhenol, 4-(5-bromo-2,1-benzisoxazol-3-yl)-DB-3668954-(5-bromo-benzo[c]isoxazol-3-yl)-phenol
Database identifiers
- CAS
96330-25-5- PubChem CID
- 136705371
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Chemistry & industry
Suppliers1 total
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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