7-Nitroindole-3-carboxylic Acid - CAS 1360891-19-5
Catalog: |
BB008281 |
Product Name: |
7-Nitroindole-3-carboxylic Acid |
CAS: |
1360891-19-5 |
Synonyms: |
7-nitro-1H-indole-3-carboxylic acid; 7-nitro-1H-indole-3-carboxylic acid |
IUPAC Name: | 7-nitro-1H-indole-3-carboxylic acid |
Description: | 7-Nitroindole-3-carboxylic Acid (CAS# 1360891-19-5 ) is a useful research chemical. |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2C(=O)O |
InChI: | InChI=1S/C9H6N2O4/c12-9(13)6-4-10-8-5(6)2-1-3-7(8)11(14)15/h1-4,10H,(H,12,13) |
InChI Key: | NNSQOHAERZEHOS-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-103880730-A | Chemical synthesis method of 7-nitroindole-3-tert butyl formate | 20140226 |
EP-2230238-A2 | Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect | 20080104 |
EP-2230238-B1 | Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect | 20080104 |
US-2010291533-A1 | Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect | 20080104 |
US-2012270203-A1 | Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect | 20080104 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 98.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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