Basic information
- CAS
51114-70-6- Standard SMILES
O=C1c2ccccc2CCC1(Br)Br- InChIKey
XJUWICWPKZOCJP-UHFFFAOYSA-N- Molecular formula
- C10H8Br2O
- Average molar mass
- 303.98 g/mol
- Monoisotopic mass
- 301.89419
Names & identifiers
- Preferred name
- 2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- 2,2-dibromo-3,4-dihydronaphthalen-1-one
- English name
- 1(2H)-Naphthalenone, 2,2-dibromo-3,4-dihydro-
- Molecular formula
- C10H8Br2O
- Molecular weight
- 303.98
Names & synonyms
51114-70-62,2-Dibromo-3,4-dihydronaphthalen-1(2H)-oneDTXSID80322873RefChem:243107DTXCID802739922,2-dibromo-3,4-dihydronaphthalen-1-one1(2H)-Naphthalenone, 2,2-dibromo-3,4-dihydro-2,2-dibromotetralin-1-oneNSC402209SCHEMBL4324609SCHEMBL31237962MFCD30530491
Show more names
2,2-DIBROMO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE（WS203732）
NSC-4022091(2H)-Naphthalenone,2-dibromo-3,4-dihydro-F31370F532884
Database identifiers
- CAS
51114-70-6- PubChem CID
- 345009
- DTXSID
DTXSID80322873- Nikkaji
- J213.677E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 50 · 50-60 °C
- Boiling point
- 330.2 · 330.2±42.0 °C(Predicted)
- Density
- 1.9 · 1.900±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
ASTATECH[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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