4-Methyl-5-nitro-1H-indazole - CAS 101420-67-1
Catalog: |
BB000504 |
Product Name: |
4-Methyl-5-nitro-1H-indazole |
CAS: |
101420-67-1 |
Synonyms: |
4-methyl-5-nitro-1H-indazole; 4-methyl-5-nitro-1H-indazole |
IUPAC Name: | 4-methyl-5-nitro-1H-indazole |
Description: | 4-Methyl-5-nitro-1H-indazole (CAS# 101420-67-1) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CC1=C(C=CC2=C1C=NN2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7N3O2/c1-5-6-4-9-10-7(6)2-3-8(5)11(12)13/h2-4H,1H3,(H,9,10) |
InChI Key: | AIFYSIHSUXTSGT-UHFFFAOYSA-N |
Boiling Point: | 379.692 °C at 760 mmHg |
Density: | 1.438 g/cm3 |
MDL: | MFCD03787902 |
LogP: | 2.30270 |
Publication Number | Title | Priority Date |
WO-2019145729-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
AU-2019213214-A1 | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 20180125 |
BR-112020013759-A2 | heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
CN-111655681-A | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 20180125 |
EP-3743420-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 20180125 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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