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2-(4-Bromophenyl)4-iodomethyl-5-methyloxazole

HCID 22493666
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oc(-c2ccc(Br)cc2)nc1CI
InChIKey
QYKXVMABMNRHFL-UHFFFAOYSA-N
Molecular formula
C11H9BrINO
Average molar mass
378 g/mol
Monoisotopic mass
376.89122

Names & identifiers

Preferred name
2-(4-Bromophenyl)4-iodomethyl-5-methyloxazole
IUPAC
2-(4-bromophenyl)-4-(iodomethyl)-5-methyl-1,3-oxazole

Names & synonyms

SCHEMBL4830096QYKXVMABMNRHFL-UHFFFAOYSA-N2-(4-bromophenyl)4-iodomethyl-5-methyloxazole2-(4-bromophenyl)-4-iodomethyl-5-methyloxazole

Database identifiers

PubChem CID
22493666

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
209

Related reactions

4 records
New reaction record
HRID 748013 reaction equation
HRID 748013As reactantuspto-grants-2008_07
HRID 945705 reaction equation
HRID 945705As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1168441 reaction equation
HRID 1168441As reactantuspto-grants-2003_09
HRID 1816377 reaction equation
HRID 1816377As reactantuspto-grants-2005_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes