| CAS Number | 1704067-47-9 |
| Catalog Number | AG00ARIU(AGN-PC-0WCS5J) |
| Chemical Name | 1-(5-bromo-2,3-difluorophenyl)pyrrolidine |
| IUPAC Name | 1-(5-bromo-2,3-difluorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H10BrF2N/c11-7-5-8(12)10(13)9(6-7)14-3-1-2-4-14/h5-6H,1-4H2 |
| InChI Key | XHFJMKVOEFNBAY-UHFFFAOYSA-N |
| MDL Number | MFCD28400281 |
| Molecular Formula | C10H10BrF2N |
| Molecular Weight | 262.0939 |
| SMILES | FC1=C(F)C(N2CCCC2)=CC(Br)=C1 |
| Synonyms | 1-(5-bromo-2,3-difluorophenyl)pyrrolidine,
1704067-47-9,
MFCD28400281,
ZINC230538881,
AM87975,
FCH3791072,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.098g/mol |
| Monoisotopic Mass | 260.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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