7-Nitroisatin - CAS 112656-95-8
Catalog: |
BB003011 |
Product Name: |
7-Nitroisatin |
CAS: |
112656-95-8 |
Synonyms: |
7-nitro-1H-indole-2,3-dione; 7-nitro-1H-indole-2,3-dione |
IUPAC Name: | 7-nitro-1H-indole-2,3-dione |
Description: | 7-Nitroisatin (CAS# 112656-95-8) is a useful research chemical. |
Molecular Weight: | 192.13 |
Molecular Formula: | C8H4N2O4 |
Canonical SMILES: | C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)C2=O |
InChI: | InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)9-8(7)12/h1-3H,(H,9,11,12) |
InChI Key: | GVZRFFXBGZSJTH-UHFFFAOYSA-N |
Density: | 1.609 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD02066502 |
LogP: | 1.39080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110845388-A | Method for synthesizing 7-nitroindole | 20191128 |
RU-2685501-C1 | AMIDO CONTAINING DERIVATIVES OF 2-OXINDOL, METHOD FOR THEIR OBTAINING AND APPLICATION | 20171127 |
CN-103922948-A | Preparation method of 2-amino-3-nitrobenzoic acid | 20140504 |
AU-2010233917-A1 | Dihydroorotate dehydrogenase inhibitors | 20090402 |
AU-2010233917-B2 | Dihydroorotate dehydrogenase inhibitors | 20090402 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01710661 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 92 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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