1-Boc-6-bromo-1H-indazole - CAS 877264-77-2
Catalog: |
BB038613 |
Product Name: |
1-Boc-6-bromo-1H-indazole |
CAS: |
877264-77-2 |
Synonyms: |
6-bromo-1-indazolecarboxylic acid tert-butyl ester; tert-butyl 6-bromoindazole-1-carboxylate |
IUPAC Name: | tert-butyl 6-bromoindazole-1-carboxylate |
Description: | 1-Boc-6-bromo-1H-indazole (CAS# 877264-77-2) is a useful research chemical. |
Molecular Weight: | 297.15 |
Molecular Formula: | C12H13BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Br)C=N1 |
InChI: | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3 |
InChI Key: | XAKCDPNWVLWUEP-UHFFFAOYSA-N |
Boiling Point: | 377 °C |
Density: | 1.46 g/cm3 |
LogP: | 3.58200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108349972-A | Jak kinase inhibitor compound for treating respiratory disorder | 20151103 |
CA-2963607-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
JP-2017530991-A | Inhibition of heparan sulfate biosynthesis to treat disease | 20141009 |
US-2019151312-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
WO-2016057834-A1 | Heparan sulfate biosynthesis inhibitors for the treatment of diseases | 20141009 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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