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Basic information
- CAS
21767-18-0- Standard SMILES
Brc1ccccc1OC1CCNC1- InChIKey
NUPVGPCMRJIIPJ-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO
- Average molar mass
- 242.11 g/mol
- Monoisotopic mass
- 241.01023
Names & identifiers
- Preferred name
- 3-(2-Bromophenoxy)pyrrolidine
- IUPAC
- 3-(2-bromophenoxy)pyrrolidine
- English name
- 3-(2-Bromo-phenoxy)-pyrrolidine
- Molecular formula
- C10H12BrNO
- Molecular weight
- 242.11
Names & synonyms
3-(2-Bromophenoxy)pyrrolidine21767-18-0SCHEMBL1927075DTXSID60620001NUPVGPCMRJIIPJ-UHFFFAOYSA-NAKOS011613645EN300-19115283-(O-BROMOPHENOXY)PYRROLIDINE3-(2-Bromo-phenoxy)-pyrrolidinePyrrolidine, 3-(2-bromophenoxy)-
Database identifiers
- CAS
21767-18-0- PubChem CID
- 21914399
- DTXSID
DTXSID60620001
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 310.4 · 310.4±32.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- pka
- 9.19 · 9.19±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Bio-Vin Research Laboratories[email protected]
HDH Pharma, Inc.[email protected]
Related reactions
6 records
Compound notes
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