6-Bromo-3-cyclopropyl-1H-indazole - CAS 1311197-90-6
Catalog: |
BB007256 |
Product Name: |
6-Bromo-3-cyclopropyl-1H-indazole |
CAS: |
1311197-90-6 |
Synonyms: |
6-bromo-3-cyclopropyl-2H-indazole; 6-bromo-3-cyclopropyl-2H-indazole |
IUPAC Name: | 6-bromo-3-cyclopropyl-2H-indazole |
Description: | 6-Bromo-3-cyclopropyl-1H-indazole (CAS# 1311197-90-6) is a useful research chemical. |
Molecular Weight: | 237.10 |
Molecular Formula: | C10H9BrN2 |
Canonical SMILES: | C1CC1C2=C3C=CC(=CC3=NN2)Br |
InChI: | InChI=1S/C10H9BrN2/c11-7-3-4-8-9(5-7)12-13-10(8)6-1-2-6/h3-6H,1-2H2,(H,12,13) |
InChI Key: | ZVQAEYFKLBCBMY-UHFFFAOYSA-N |
LogP: | 3.20280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2018234353-A1 | NOVEL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE | 20170620 |
AU-2016355710-A1 | Modulators of ROR-gamma | 20151120 |
EP-3377482-A1 | Modulators of ror-gamma | 20151120 |
KR-20180086221-A | Regulators of ROR-gamma | 20151120 |
US-2019322687-A1 | Modulators of ror-gamma | 20151120 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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