| CAS Number | 1956437-18-5 |
| Catalog Number | AG00IMOT(AGN-PC-0WAMIT) |
| Chemical Name | (S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine hcl |
| IUPAC Name | (2S)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H11F2NO2.ClH/c12-11(13)15-9-5-1-3-7(10(9)16-11)8-4-2-6-14-8;/h1,3,5,8,14H,2,4,6H2;1H/t8-;/m0./s1 |
| InChI Key | BWVHGZWQWVNASS-QRPNPIFTSA-N |
| MDL Number | MFCD26583537 |
| Molecular Formula | C11H12ClF2NO2 |
| Molecular Weight | 263.6683 |
| SMILES | FC1(F)OC2=CC=CC([C@H]3NCCC3)=C2O1.[H]Cl |
| Synonyms | 1956437-18-5,
(S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine HCl,
4-((2S)pyrrolidin-2-yl)-2,2-difluorobenzo[d]1,3-dioxolane hcl,
(S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine hydrochloride,
1212918-18-7,
KS-00000LDC,
MFCD26583537,
AKOS027337375,
GS-7353,
KS-000026G0,
(2S)-2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)pyrrolidine hydrochloride,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.669g/mol |
| Monoisotopic Mass | 263.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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