5-Nitroindole-3-carboxylic Acid - CAS 6958-37-8
Catalog: |
BB033874 |
Product Name: |
5-Nitroindole-3-carboxylic Acid |
CAS: |
6958-37-8 |
Synonyms: |
5-nitro-1H-indole-3-carboxylic acid; 5-nitro-1H-indole-3-carboxylic acid |
IUPAC Name: | 5-nitro-1H-indole-3-carboxylic acid |
Description: | 5-Nitroindole-3-carboxylic Acid (CAS# 6958-37-8) is a useful research chemical. |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)O |
InChI: | InChI=1S/C9H6N2O4/c12-9(13)7-4-10-8-2-1-5(11(14)15)3-6(7)8/h1-4,10H,(H,12,13) |
InChI Key: | OOOJXNVTVWRZMA-UHFFFAOYSA-N |
Boiling Point: | 520.8 ℃ at 760 mmHg |
Density: | 1.632 g/cm3 |
MDL: | MFCD06203492 |
LogP: | 2.29750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10660876-B2 | Amino compounds for treatment of medical disorders | 20150826 |
US-2018177761-A1 | Amino compounds for treatment of medical disorders | 20150826 |
WO-2017035351-A1 | Amino compounds for treatment of medical disorders | 20150826 |
AU-2019208176-A1 | Antibacterial therapeutics and prophylactics | 20150728 |
CN-108349968-A | Antibacterial therapy agent and prophylactic | 20150728 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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