Basic information
- CAS
657389-99-6- Standard SMILES
Cc1nc(CBr)co1- InChIKey
DFHDMLPICLBQPT-UHFFFAOYSA-N- Molecular formula
- C5H6BrNO
- Average molar mass
- 176.01 g/mol
- Monoisotopic mass
- 174.96327591
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2-methyloxazole
- IUPAC
- 4-(bromomethyl)-2-methyl-1,3-oxazole
- English name
- 4-(Bromomethyl)-2-methyl-1,3-oxazole
- Molecular formula
- C5H6BrNO
- Molecular weight
- 176.01
Names & synonyms
4-(bromomethyl)-2-methyloxazole657389-99-64-(Bromomethyl)-2-methyl-1,3-oxazole4-bromomethyl-2-methyl-oxazoleSCHEMBL1127033DTXSID70657323DFHDMLPICLBQPT-UHFFFAOYSA-NOxazole, 4-(bromomethyl)-2-methyl-
Database identifiers
- CAS
657389-99-6- PubChem CID
- 44119604
- DTXSID
DTXSID70657323
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.8
Physicochemical properties
- Hazard Codes
- Xi
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- hazard_code
- Xi
Chemistry & industry
Suppliers6 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
3 records
Compound notes
Loading…