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alpha-Bromo-2'-fluoro-4'-chloropropoxyacetophenone

HCID 22015593
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CBr)c1ccc(OCCCCl)cc1F
InChIKey
OYQCZKWYWFOYFQ-UHFFFAOYSA-N
Molecular formula
C11H11BrClFO2
Average molar mass
309.56 g/mol

Names & identifiers

Preferred name
alpha-Bromo-2'-fluoro-4'-chloropropoxyacetophenone
IUPAC
2-bromo-1-[4-(3-chloropropoxy)-2-fluorophenyl]ethanone

Names & synonyms

SCHEMBL5264249OYQCZKWYWFOYFQ-UHFFFAOYSA-Nalpha-bromo-2'-fluoro-4'-chloropropoxyacetophenone

Database identifiers

PubChem CID
22015593

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Formal charge
0
Complexity
228

Related reactions

9 records
New reaction record
HRID 8364 reaction equation
HRID 8364As productuspto-grants-2006_08
HRID 8365 reaction equation
HRID 8365As reactantuspto-grants-2006_08
HRID 1072028 reaction equation
HRID 1072028As productuspto-grants-2005_06
HRID 1072029 reaction equation
HRID 1072029As reactantuspto-grants-2005_06
HRID 1268676 reaction equation
HRID 1268676As reactantuspto-grants-2007_04
HRID 1824497 reaction equation
HRID 1824497As productuspto-grants-2006_05
HRID 1824498 reaction equation
HRID 1824498As reactantuspto-grants-2006_05
HRID 1824531 reaction equation
HRID 1824531As productuspto-grants-2006_05
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Compound notes

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