Basic information
- CAS
7475-40-3- Standard SMILES
O=C1C(=O)c2cc(Br)ccc2C(O)=C1CCc1ccccc1- InChIKey
INBDLXWDQWKRHK-UHFFFAOYSA-N- Molecular formula
- C18H13BrO3
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 356.00481
Names & identifiers
- Preferred name
- 7-Bromo-4-hydroxy-3-(2-phenylethyl)naphthalene-1,2-dione
- IUPAC
- 7-bromo-4-hydroxy-3-(2-phenylethyl)naphthalene-1,2-dione
Names & synonyms
7475-40-3NSC4011867-Bromo-4-hydroxy-3-(2-phenylethyl)naphthalene-1,2-dioneDTXSID00322411NSC-401186DS-0091877-bromo-4-hydroxy-3-phenethyl-naphthalene-1,2-dione
Database identifiers
- CAS
7475-40-3- PubChem CID
- 344331
- DTXSID
DTXSID00322411
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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