Methyl 5-Chloro-4-nitrothiophene-2-carboxylate - CAS 57800-76-7
Catalog: |
BB029831 |
Product Name: |
Methyl 5-Chloro-4-nitrothiophene-2-carboxylate |
CAS: |
57800-76-7 |
Synonyms: |
5-chloro-4-nitro-2-thiophenecarboxylic acid methyl ester; methyl 5-chloro-4-nitrothiophene-2-carboxylate |
IUPAC Name: | methyl 5-chloro-4-nitrothiophene-2-carboxylate |
Description: | Methyl 5-Chloro-4-nitrothiophene-2-carboxylate (CAS# 57800-76-7) is a useful research chemical. |
Molecular Weight: | 221.62 |
Molecular Formula: | C6H4ClNO4S |
Canonical SMILES: | COC(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H4ClNO4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,1H3 |
InChI Key: | IJSXVHIIYIMVTM-UHFFFAOYSA-N |
Boiling Point: | 358.168 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD08275718 |
LogP: | 2.61950 |
Publication Number | Title | Priority Date |
US-2020031825-A1 | Heteroaromatic-fused imidazolyl amides, compositions and uses thereof as sting agonists | 20180710 |
WO-2020010451-A1 | Heteroaromatic-fused imidazolyl amides, compositions and uses thereof as sting agonists | 20180710 |
WO-2019193159-A1 | Bumetanide derivatives for the therapy of hyperhidrosis | 20180406 |
AU-2019247641-A1 | Bumetanide derivatives for the therapy of hyperhidrosis | 20180406 |
BR-112020020464-A2 | BUMETANIDE DERIVATIVES FOR HYPERIDROSIS THERAPY | 20180406 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9549565 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9549565 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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