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4-Bromo-2-ethyl-1-methoxymethyl-benzene

HCID 58764053
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc(Br)ccc1COC
InChIKey
BAYGLOIMOUVVCE-UHFFFAOYSA-N
Molecular formula
C10H13BrO
Average molar mass
229.11 g/mol
Monoisotopic mass
228.01498

Names & identifiers

Preferred name
4-Bromo-2-ethyl-1-methoxymethyl-benzene
IUPAC
4-bromo-2-ethyl-1-(methoxymethyl)benzene

Names & synonyms

SCHEMBL4468000BAYGLOIMOUVVCE-UHFFFAOYSA-N4-Bromo-2-ethyl-1-methoxymethyl-benzene

Database identifiers

PubChem CID
58764053

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
127

Related reactions

5 records
New reaction record
HRID 141439 reaction equation
HRID 141439As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 859680 reaction equation
HRID 859680As productuspto-grants-2006_12
HRID 1226680 reaction equation
HRID 1226680As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1438264 reaction equation
HRID 1438264As productuspto-grants-2009_11
HRID 2387071 reaction equation
HRID 2387071As productuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes