Basic information
- CAS
84167-74-8- Standard SMILES
COc1ccc2cc(C(C)=O)ccc2c1Br- InChIKey
KDDYYAXVVDTNND-UHFFFAOYSA-N- Molecular formula
- C13H11BrO2
- Average molar mass
- 279.13 g/mol
- Monoisotopic mass
- 277.99424169
Names & identifiers
- Preferred name
- 1-(5-Bromo-6-methoxynaphthalen-2-yl)ethan-1-one
- IUPAC
- 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone
- English name
- 2-Acetyl-5-bromo-6-methoxynaphthalene
- Molecular formula
- C13H11BrO2
- Molecular weight
- 279.13
Names & synonyms
84167-74-81-(5-bromo-6-methoxynaphthalen-2-yl)ethan-1-oneDTXSID90347496RefChem:225684DTXCID202985682-ACETYL-5-BROMO-6-METHOXYNAPHTHALENE6-Acetyl-1-bromo-2-methoxynaphthalene1-(5-bromo-6-methoxynaphthalen-2-yl)ethanoneMFCD001008321-(5-Bromo-6-methoxy-2-naphthyl)ethanoneSCHEMBL77362955-bromo-6-methoxy-2-acetylnaphthalene
Show more names
6-Acetyl-1-bromo-2-methoxynaphthalene >1-(5-bromo-6-methoxynaphthalen-2-yl)ethanoneEthanone, 1-(5-bromo-6-methoxy-2-naphthalenyl)-
AKOS004902246AC-90962-Acetyl-5-bromo-6-methoxy-naphthalene5'-Bromo-6'-methoxy-2'-acetonaphthoneAS-30227SY054281DB-020325A1584
Database identifiers
- CAS
84167-74-8- PubChem CID
- 622178
- DTXSID
DTXSID90347496- Nikkaji
- J2.642.433J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 84167 · 84167-74-8(CAS DataBase Reference)
- HS Code
- 2914.5 · 2914.50.3000
Safety & regulation
Safety data
- hs_code
- 2914.50.3000
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
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TCI Chemicals (India) Pvt. Ltd.[email protected]
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Related reactions
26 records
Compound notes
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