2-Chloro-5-methanesulfonylaniline Hydrochloride - CAS 16328-56-6
Catalog: |
BB069911 |
Product Name: |
2-Chloro-5-methanesulfonylaniline Hydrochloride |
CAS: |
16328-56-6 |
Synonyms: |
2-Chloro-5-(methylsulfonyl)benzenamine Hydrochloride; 2-Chloro-5-methylsulfonylphenylamine Hydrochloride |
IUPAC Name: | 2-chloro-5-methylsulfonylaniline |
Description: | 2-Chloro-5-methanesulfonylaniline Hydrochloride is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 205.66 + (36.46) |
Molecular Formula: | C7H8NO2SCl·HCl |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)Cl)N |
InChI: | InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3 |
InChI Key: | JZYXWKXXTIMVOA-UHFFFAOYSA-N |
References: | Markley, L. D., et al. J. Med. Chem., 29, 427 (1986); Crosignani, S., et al. J. Med. Chem., 54, 7299 (2011). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9964274 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9964274 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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