2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole
Basic information
- CAS
61712-42-3- Standard SMILES
Cc1ccc2oc(-c3cccc(Br)c3)nc2c1- InChIKey
MZFREZYSFXTNDD-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO
- Average molar mass
- 288.14 g/mol
- Monoisotopic mass
- 286.99458
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-5-methyl-1,3-benzoxazole
- IUPAC
- 2-(3-bromophenyl)-5-methyl-1,3-benzoxazole
Names & synonyms
61712-42-32-(3-bromophenyl)-5-methyl-1,3-benzoxazoleBenzoxazole, 2-(3-bromophenyl)-5-methyl-2-(3-Bromophenyl)-5-methylbenzo[d]oxazole2-(3-bromophenyl)-5-methylbenzoxazoleHMS1585P20SCHEMBL3137765DTXSID50355517MZFREZYSFXTNDD-UHFFFAOYSA-NSTK223361AKOS0032841722-(3-Bromophenyl)-5-methyl-benzoxazole
Show more names
DB-202098
Database identifiers
- CAS
61712-42-3- PubChem CID
- 804193
- DTXSID
DTXSID50355517
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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