3-Methyl-5-nitro-1H-indazole - CAS 40621-84-9
Catalog: |
BB024591 |
Product Name: |
3-Methyl-5-nitro-1H-indazole |
CAS: |
40621-84-9 |
Synonyms: |
3-methyl-5-nitro-2H-indazole; 3-methyl-5-nitro-2H-indazole |
IUPAC Name: | 3-methyl-5-nitro-2H-indazole |
Description: | 3-Methyl-5-nitro-1H-indazole (CAS# 40621-84-9) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CC1=C2C=C(C=CC2=NN1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10) |
InChI Key: | ZGDNJFXKELMVLS-UHFFFAOYSA-N |
Boiling Point: | 225.2 °C at 760 mmHg |
Density: | 1.437 g/cm3 |
MDL: | MFCD07082699 |
LogP: | 2.30270 |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
KR-102128509-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
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: | 1.8 |
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