5-Bromo-3-methyl-1H-indazole - CAS 552331-16-5
Catalog: |
BB028961 |
Product Name: |
5-Bromo-3-methyl-1H-indazole |
CAS: |
552331-16-5 |
Synonyms: |
5-bromo-3-methyl-2H-indazole; 5-bromo-3-methyl-2H-indazole |
IUPAC Name: | 5-bromo-3-methyl-2H-indazole |
Description: | 5-Bromo-3-methyl-1H-indazole (CAS# 552331-16-5) is a useful research chemical. |
Molecular Weight: | 211.06 |
Molecular Formula: | C8H7BrN2 |
Canonical SMILES: | CC1=C2C=C(C=CC2=NN1)Br |
InChI: | InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11) |
InChI Key: | XDJNHYAQZWCIAH-UHFFFAOYSA-N |
Boiling Point: | 341.417 °C at 760 mmHg |
Density: | 1.655 g/cm3 |
MDL: | MFCD05664003 |
LogP: | 2.63380 |
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-113336759-A | Bromodomain protein 4 small molecule inhibitor, preparation method and application thereof | 20201225 |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
WO-2021073592-A1 | Salt types, crystal forms, and preparation methods for benzopyrazole compounds as rho kinase inhibitors | 20191018 |
WO-2021041237-A1 | Thyroid hormone receptor beta agonist compounds | 20190823 |
TW-202019431-A | Thiadiazine (thiadiazine) derivatives | 20180713 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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