Methyl 3-Nitrothiophene-2-carboxylate - CAS 75735-44-3
Catalog: |
BB035392 |
Product Name: |
Methyl 3-Nitrothiophene-2-carboxylate |
CAS: |
75735-44-3 |
Synonyms: |
3-nitro-2-thiophenecarboxylic acid methyl ester; methyl 3-nitrothiophene-2-carboxylate |
IUPAC Name: | methyl 3-nitrothiophene-2-carboxylate |
Description: | Methyl 3-Nitrothiophene-2-carboxylate (CAS# 75735-44-3 ) is a useful research chemical. |
Molecular Weight: | 187.17 |
Molecular Formula: | C6H5NO4S |
Canonical SMILES: | COC(=O)C1=C(C=CS1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H5NO4S/c1-11-6(8)5-4(7(9)10)2-3-12-5/h2-3H,1H3 |
InChI Key: | DDLFZCCIZTVFBQ-UHFFFAOYSA-N |
LogP: | 1.96610 |
Publication Number | Title | Priority Date |
AU-2017221707-A1 | Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor | 20160216 |
AU-2017221707-B2 | Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor | 20160216 |
CA-3014740-A1 | 2,3,5-substituted thiophene compound as protein kinase inhibitor | 20160216 |
CN-108884066-A | The thiophene compound that new 2,3,5- as kinases inhibitor replace | 20160216 |
EP-3418275-A1 | Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor | 20160216 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.99392881 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.99392881 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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