1-Benzyl-5-nitro-1H-indazole - CAS 23856-20-4
Catalog: |
BB018207 |
Product Name: |
1-Benzyl-5-nitro-1H-indazole |
CAS: |
23856-20-4 |
Synonyms: |
5-nitro-1-(phenylmethyl)indazole; 1-benzyl-5-nitroindazole |
IUPAC Name: | 1-benzyl-5-nitroindazole |
Description: | 1-Benzyl-5-nitro-1H-indazole (CAS# 23856-20-4 ) is a useful research chemical. |
Molecular Weight: | 253.26 |
Molecular Formula: | C14H11N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2 |
InChI: | InChI=1S/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)9-15-16(14)10-11-4-2-1-3-5-11/h1-9H,10H2 |
InChI Key: | KACWEIWGSHNESJ-UHFFFAOYSA-N |
Boiling Point: | 451.084 ℃ at 760 mmHg |
Density: | 1.31 g/cm3 |
MDL: | MFCD08275706 |
LogP: | 3.51600 |
Publication Number | Title | Priority Date |
CN-104870422-A | Novel amine derivative or salt thereof | 20121031 |
CN-104870422-B | Amine derivative or its salt | 20121031 |
EP-2915804-A1 | Novel amine derivative or salt thereof | 20121031 |
EP-2915804-B1 | Novel amine derivative or salt thereof as tnf alpha inhibitors | 20121031 |
JP-6466171-B2 | Novel amine derivative or salt thereof | 20121031 |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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