Methyl 5-(Chlorosulfonyl)-1H-pyrazole-4-carboxylate - CAS 1532000-54-6
Catalog: |
BB010860 |
Product Name: |
Methyl 5-(Chlorosulfonyl)-1H-pyrazole-4-carboxylate |
CAS: |
1532000-54-6 |
Synonyms: |
5-chlorosulfonyl-1H-pyrazole-4-carboxylic acid methyl ester; methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate |
Description: | Methyl 5-(Chlorosulfonyl)-1H-pyrazole-4-carboxylate (CAS# 1532000-54-6) is a useful research chemical. |
Molecular Weight: | 224.62 |
Molecular Formula: | C5H5ClN2O4S |
Canonical SMILES: | COC(=O)C1=C(NN=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H5ClN2O4S/c1-12-5(9)3-2-7-8-4(3)13(6,10)11/h2H,1H3,(H,7,8) |
InChI Key: | JUPRTCJWTVXBNZ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
DE-69829648-T2 | Substituted β-thiocarboxylic acid | 19970122 |
EP-0960096-A1 | SUBSTITUTED $g(b)-THIOCARBOXYLIC ACIDS | 19970122 |
EP-0960096-B1 | Substituted beta-thiocarboxylic acids | 19970122 |
EP-1486486-A2 | Substituted B-thiocarboxylic acids | 19970122 |
JP-4456183-B2 | Substituted β-thiocarboxylic acids | 19970122 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9658555 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9658555 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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