5-Nitro-1H-indazole-3-carboxylic Acid - CAS 78155-76-7
Catalog: |
BB036118 |
Product Name: |
5-Nitro-1H-indazole-3-carboxylic Acid |
CAS: |
78155-76-7 |
Synonyms: |
5-nitro-1H-indazole-3-carboxylic acid; 5-nitro-1H-indazole-3-carboxylic acid |
IUPAC Name: | 5-nitro-1H-indazole-3-carboxylic acid |
Description: | 5-Nitro-1H-indazole-3-carboxylic Acid (CAS# 78155-76-7) is a useful research chemical. |
Molecular Weight: | 207.14 |
Molecular Formula: | C8H5N3O4 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)C(=O)O |
InChI: | InChI=1S/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13) |
InChI Key: | MLTOGNYOQHDCAN-UHFFFAOYSA-N |
Boiling Point: | 547.1 °C at 760 mmHg |
Density: | 1.733 g/cm3 |
LogP: | 1.69250 |
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 |
WO-2019222173-A1 | Fused tetrazoles as lrrk2 inhibitors | 20180515 |
US-2021261553-A1 | Fused tetrazoles as lrrk2 inhibitors | 20180515 |
US-2015203475-A1 | Pyrazole derivatives as p38 map inhibitors | 20120829 |
US-9249125-B2 | Pyrazole derivatives as p38 MAP inhibitors | 20120829 |
WO-2014033448-A1 | Pyrazole derivatives as p38 map inhibitors | 20120829 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.02800565 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.02800565 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS