(Chlorosulfonyl)carbamic Acid Benzyl Ester - CAS 89979-13-5
Catalog: |
BB069858 |
Product Name: |
(Chlorosulfonyl)carbamic Acid Benzyl Ester |
CAS: |
89979-13-5 |
Synonyms: |
N-(Chlorosulfonyl)carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-chlorosulfonylcarbamate |
Description: | (Chlorosulfonyl)carbamic Acid Benzyl Ester, is used in the synthesis of various pharmaceutical compounds, such as inhibitors. |
Molecular Weight: | 249.67 |
Molecular Formula: | C8H8ClNO4S |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NS(=O)(=O)Cl |
InChI: | InChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
InChI Key: | BCSYQDOKTDVISP-UHFFFAOYSA-N |
References: | Chen, K. et al. Bio. Med. Chem. Lett., 19, 1105 (2009). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.9862566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.9862566 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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