Methyl 5-Amino-4-nitrothiophene-2-carboxylate - CAS 106850-17-3
Catalog: |
BB001932 |
Product Name: |
Methyl 5-Amino-4-nitrothiophene-2-carboxylate |
CAS: |
106850-17-3 |
Synonyms: |
5-amino-4-nitro-2-thiophenecarboxylic acid methyl ester; methyl 5-amino-4-nitrothiophene-2-carboxylate |
IUPAC Name: | methyl 5-amino-4-nitrothiophene-2-carboxylate |
Description: | Methyl 5-Amino-4-nitrothiophene-2-carboxylate (CAS# 106850-17-3) is a useful research chemical. |
Molecular Weight: | 202.19 |
Molecular Formula: | C6H6N2O4S |
Canonical SMILES: | COC(=O)C1=CC(=C(S1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6N2O4S/c1-12-6(9)4-2-3(8(10)11)5(7)13-4/h2H,7H2,1H3 |
InChI Key: | QNZKSILGWVCZJH-UHFFFAOYSA-N |
Boiling Point: | 416.9 °C at 760 mmHg |
Density: | 1.544 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 2.12950 |
Publication Number | Title | Priority Date |
EP-2576566-A1 | Thieno (2, 3b) pyrazine compounds as b - raf inhibitors | 20100528 |
EP-2576566-B1 | Thieno(2,3b)pyrazine compounds as b-raf inhibitors | 20100528 |
US-2013079341-A1 | Thieno (2, 3b) pyrazine compounds as b-raf inhibitors | 20100528 |
US-8669256-B2 | Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity | 20100528 |
WO-2011147764-A1 | Thieno (2, 3b) pyrazine compounds as b - raf inhibitors | 20100528 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.00482785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.00482785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 126 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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