| CAS Number | 1082926-06-4 |
| Catalog Number | AG00966W(AGN-PC-0WOLF2) |
| Chemical Name | 3-(3-Bromophenyl)pyrrolidine |
| IUPAC Name | 3-(3-bromophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12BrN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2 |
| InChI Key | VSILMHOCUHKEQH-UHFFFAOYSA-N |
| MDL Number | MFCD09027610 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | BrC1=CC(C2CNCC2)=CC=C1 |
| Synonyms | 3-(3-BROMOPHENYL)PYRROLIDINE,
1082926-06-4,
CTK5I8418,
MFCD09027610,
AKOS016374087,
FCH1390286,
MCULE-2129894512,
SC-43349,
EN300-115772,
3-(3-bromophenyl)pyrrolidine HCl,
3-(3-Bromo-phenyl)-pyrrolidine,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number