3-(Benzenesulfonyl)pyrrolidine Hydrochloride - CAS 1003562-01-3
Catalog: |
BB073952 |
Product Name: |
3-(Benzenesulfonyl)pyrrolidine Hydrochloride |
CAS: |
1003562-01-3 |
Synonyms: |
3-(Phenylsulfonyl)pyrrolidine hydrochloride; 3-(benzenesulfonyl)pyrrolidine hydrochloride; 3-(BENZENESULFONYL)PYRROLIDINE HCL; 3-(benzenesulfonyl)pyrrolidine; hydrochloride; 3-(Phenylsulfonyl)pyrrolidine HCl; 3-(Phenylsulphonyl)pyrrolidine hydrochloride; 3-(Benzenesulphonyl)pyrrolidine hydrochloride |
IUPAC Name: | 3-(benzenesulfonyl)pyrrolidinehydrochloride |
Molecular Weight: | 211.28+(36.46) |
Molecular Formula: | C10H13NO2S·HCl |
Canonical SMILES: | C1CNCC1S(=O)(=O)C2=CC=CC=C2.Cl |
InChI: | InChI=1S/C10H13NO2S.ClH/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H21H |
InChI Key: | MUMXFWPSGKJXFA-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0433776 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0433776 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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