5-Bromomethyl-4-(4-chlorophenyl)-2-methyloxazole

HCID 13293293

Notes Reactions

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Basic information

CAS: 89150-07-2
Standard SMILES: Cc1nc(-c2ccc(Cl)cc2)c(CBr)o1
InChIKey: IVWJHBBSIIBJOE-UHFFFAOYSA-N
Molecular formula: C11H9BrClNO
Average molar mass: 286.55 g/mol
Monoisotopic mass: 284.9556

Names & identifiers

Preferred name: 5-Bromomethyl-4-(4-chlorophenyl)-2-methyloxazole
IUPAC: 5-(bromomethyl)-4-(4-chlorophenyl)-2-methyl-1,3-oxazole

Names & synonyms

5-bromomethyl-4-(4-chlorophenyl)-2-methyloxazole89150-07-2SCHEMBL5214339DTXSID10535277IVWJHBBSIIBJOE-UHFFFAOYSA-NDB-2194195-(Bromomethyl)-4-(4-chlorophenyl)-2-methyl-1,3-oxazole

Database identifiers

CAS: 89150-07-2
PubChem CID: 13293293
DTXSID: DTXSID10535277

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26 Å²
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 693925As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1982432As productuspto-grants-1986_06

HRID 1982433As reactantuspto-grants-1986_06

HRID 1982441As reactantuspto-grants-1986_06

Compound notes

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