Basic information
- CAS
331864-52-9- Standard SMILES
O=C(Nc1cccc2ccccc12)c1cccc(Br)c1- InChIKey
XKNZEZOUWZIZTR-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO
- Average molar mass
- 326.2 g/mol
- Monoisotopic mass
- 325.01023
Names & identifiers
- Preferred name
- Benzamide, N-(1-naphthyl)-3-bromo-
- IUPAC
- 3-bromo-N-naphthalen-1-ylbenzamide
- English name
- 3-bromo-N-(naphthalen-1-yl)benzamide
- Molecular formula
- C17H12BrNO
- Molecular weight
- 326.19
Names & synonyms
3-bromo-N-(naphthalen-1-yl)benzamideBenzamide, N-(1-naphthyl)-3-bromo-331864-52-9XKNZEZOUWZIZTR-UHFFFAOYSA-N3-Bromo-N-1-naphthalenylbenzamideDTXSID001299820STK155767AKOS000202724Benzamide, 3-bromo-N-1-naphthalenyl-
Database identifiers
- CAS
331864-52-9- PubChem CID
- 532003
- DTXSID
DTXSID001299820
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 400.3 · 400.3±28.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.30(Predicted)
Chemistry & industry
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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