2-Bromo-5-(methoxymethyl)-1,3-dimethylbenzene

HCID 86686326

Notes Reactions

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Basic information

Standard SMILES: COCc1cc(C)c(Br)c(C)c1
InChIKey: RBYDWRANJMZZGV-UHFFFAOYSA-N
Molecular formula: C10H13BrO
Average molar mass: 229.11 g/mol
Monoisotopic mass: 228.01498

Names & identifiers

Preferred name: 2-Bromo-5-(methoxymethyl)-1,3-dimethylbenzene
IUPAC: 2-bromo-5-(methoxymethyl)-1,3-dimethylbenzene

Names & synonyms

2-bromo-5-(methoxymethyl)-1,3-dimethylbenzene74973-55-0MFCD29088120SCHEMBL14853199RBYDWRANJMZZGV-UHFFFAOYSA-NDB-217067CS-0195237E941422-bromo-5-(methoxymethyl)-1,3-dimethyl-benzeneF632552

Database identifiers

PubChem CID: 86686326

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 126

Related reactions

2 records

New reaction record

HRID 148988As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1043887As productuspto-grants-2013_10

Compound notes

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