Basic information
- CAS
946664-90-0- Standard SMILES
Nc1cc(Br)ccc1OCC1CCCO1- InChIKey
UKEHNCFBSNLGPU-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO2
- Average molar mass
- 272.14 g/mol
- Monoisotopic mass
- 271.02079
Names & identifiers
- Preferred name
- 5-Bromo-2-(tetrahydro-2-furanylmethoxy)aniline
- IUPAC
- 5-bromo-2-(oxolan-2-ylmethoxy)aniline
- English name
- 5-BROMO-2-(TETRAHYDRO-2-FURANYLMETHOXY)ANILINE
- Molecular formula
- C11H14BrNO2
- Molecular weight
- 272.14
Names & synonyms
5-BROMO-2-(TETRAHYDRO-2-FURANYLMETHOXY)ANILINE5-bromo-2-(oxolan-2-ylmethoxy)aniline946664-90-0AKOS000215101Benzenamine, 5-bromo-2-[(tetrahydro-2-furanyl)methoxy]-
Database identifiers
- CAS
946664-90-0- PubChem CID
- 43187372
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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