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2-Bromomethyl-1,3-dichloro-4-methoxy-benzene

HCID 59299515
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(Cl)c(CBr)c1Cl
InChIKey
SFPDZTWZALNDEP-UHFFFAOYSA-N
Molecular formula
C8H7BrCl2O
Average molar mass
269.95 g/mol

Names & identifiers

Preferred name
2-Bromomethyl-1,3-dichloro-4-methoxy-benzene
IUPAC
2-(bromomethyl)-1,3-dichloro-4-methoxybenzene

Names & synonyms

SCHEMBL2991308SFPDZTWZALNDEP-UHFFFAOYSA-N2-Bromomethyl-1,3-dichloro-4-methoxy-benzene

Database identifiers

PubChem CID
59299515

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
145

Related reactions

2 records
New reaction record
HRID 188973 reaction equation
HRID 188973As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2235211 reaction equation
HRID 2235211As productuspto-grants-2010_05

Compound notes

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