6-Bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine - CAS 1214900-69-2
Catalog: |
BB073423 |
Product Name: |
6-Bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine |
CAS: |
1214900-69-2 |
Synonyms: |
6-bromo-N-(tetrahydro-2H-pyran-4-yl)-1H-indazol-3-amine; 6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine; 1H-Indazol-3-amine, 6-bromo-N-(tetrahydro-2H-pyran-4-yl)- |
IUPAC Name: | 6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine |
Molecular Weight: | 296.16 |
Molecular Formula: | C12H14N3OBr |
Canonical SMILES: | C1COCCC1NC2=NNC3=C2C=CC(=C3)Br |
InChI: | InChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)15-16-12(10)14-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15,16) |
InChI Key: | JDCLLHCVKBKIRJ-UHFFFAOYSA-N |
References: | Bahmanyar, S., et al. From PCT Int. Appl. (2010), WO 2010027500 A1 20100311. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.03202 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.03202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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