Basic information
- CAS
72109-12-7- Standard SMILES
O=C(Nc1ccccc1)OCc1oc2ccc(Br)cc2c1-c1ccccc1- InChIKey
ZSWYSDYXNLKXTC-UHFFFAOYSA-N- Molecular formula
- C22H16BrNO3
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 421.03136
Names & identifiers
- Preferred name
- 2-Benzofuranmethanol, 5-bromo-3-phenyl-, carbanilate
- IUPAC
- (5-bromo-3-phenyl-1-benzofuran-2-yl)methyl N-phenylcarbamate
Names & synonyms
BRN 14027092-BENZOFURANMETHANOL, 5-BROMO-3-PHENYL-, CARBANILATE2-Hydroxymethyl-3-phenyl-5-bromobenzofuran phenylcarbamate72109-12-7DTXSID00222427RefChem:256368DTXCID00144918(5-bromo-3-phenyl-1-benzofuran-2-yl)methyl phenylcarbamate
Database identifiers
- CAS
72109-12-7- PubChem CID
- 51547
- DTXSID
DTXSID00222427
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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