5-(4-Nitrophenyl)thiophene-2-carboxylic acid - CAS 80387-79-7
Catalog: |
BB036492 |
Product Name: |
5-(4-Nitrophenyl)thiophene-2-carboxylic acid |
CAS: |
80387-79-7 |
Synonyms: |
5-(4-nitrophenyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-nitrophenyl)thiophene-2-carboxylic acid |
Description: | 5-(4-Nitrophenyl)thiophene-2-carboxylic acid (CAS# 80387-79-7) is a useful research chemical. |
Molecular Weight: | 249.24 |
Molecular Formula: | C11H7NO4S |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C11H7NO4S/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14) |
InChI Key: | KQLUSGVTGAPFDW-UHFFFAOYSA-N |
Boiling Point: | 473.8 °C at 760 mmHg |
Density: | 1.478 g/cm3 |
MDL: | MFCD00451599 |
LogP: | 3.54470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2005209284-A1 | Tec kinase inhibitors | 20040212 |
WO-2005079791-A1 | Thiophene -2- carboxylic acid - (1h - benzimidazol - 2 yl) - amide derivatives and related compounds as inhibitors of the tec kinase itk (interleukin -2- inducible t cell kinase) for the treatment of inflammation, immunological and allergic disorders | 20040212 |
SK-288015-B6 | Thiophene derivatives as antiviral agents for flavivirus infection | 20010611 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.00957888 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 111 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Thiophenes
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