6-Chloro-4-nitro-1H-indazole - CAS 885519-50-6
Catalog: |
BB038977 |
Product Name: |
6-Chloro-4-nitro-1H-indazole |
CAS: |
885519-50-6 |
Synonyms: |
6-chloro-4-nitro-1H-indazole; 6-chloro-4-nitro-1H-indazole |
IUPAC Name: | 6-chloro-4-nitro-1H-indazole |
Description: | 6-Chloro-4-nitro-1H-indazole (CAS# 885519-50-6) is a useful research chemical. |
Molecular Weight: | 197.58 |
Molecular Formula: | C7H4ClN3O2 |
Canonical SMILES: | C1=C(C=C2C(=C1[N+](=O)[O-])C=NN2)Cl |
InChI: | InChI=1S/C7H4ClN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10) |
InChI Key: | ALKXLVRDXHYCOA-UHFFFAOYSA-N |
LogP: | 2.64770 |
Publication Number | Title | Priority Date |
CN-107840826-B | 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor | 20160919 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9992041 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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