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1-(5-Bromo-6-methoxy-2-naphthyl)-1-propanone

HCID 1471998
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC(=O)c1ccc2c(Br)c(OC)ccc2c1
InChIKey
MMALTXIRVFBJAH-UHFFFAOYSA-N
Molecular formula
C14H13BrO2
Average molar mass
293.15 g/mol

Names & identifiers

Preferred name
1-(5-Bromo-6-methoxy-2-naphthyl)-1-propanone
IUPAC
1-(5-bromo-6-methoxynaphthalen-2-yl)propan-1-one

Names & synonyms

92189-66-71-(5-bromo-6-methoxy-2-naphthyl)-1-propanone1-(5-bromo-6-methoxynaphthalen-2-yl)propan-1-oneMFCD00202231SCHEMBL7772381MMALTXIRVFBJAH-UHFFFAOYSA-NAKOS0050747925-bromo-6-methoxy-2-propionylnaphthalene1-(5-bromo-6-methoxy-2-naphthyl)propan-1-one10J-023

Database identifiers

PubChem CID
1471998

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
279

Related reactions

3 records
New reaction record
HRID 344821 reaction equation
HRID 344821As reactantuspto-grants-1991_10
HRID 1030849 reaction equation
HRID 1030849As reactantuspto-grants-1992_04
HRID 2345256 reaction equation
HRID 2345256As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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