5-Bromo-1-methyl-1H-indazole - CAS 465529-57-1
Catalog: |
BB026154 |
Product Name: |
5-Bromo-1-methyl-1H-indazole |
CAS: |
465529-57-1 |
Synonyms: |
5-bromo-1-methylindazole; 5-bromo-1-methylindazole |
IUPAC Name: | 5-bromo-1-methylindazole |
Description: | 5-Bromo-1-methyl-1H-indazole (CAS# 465529-57-1) is an antibacterial drugs with inhibitory activity against multidrug-resistant (MDR) pathogens. |
Molecular Weight: | 211.06 |
Molecular Formula: | C8H7BrN2 |
Canonical SMILES: | CN1C2=C(C=C(C=C2)Br)C=N1 |
InChI: | InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3 |
InChI Key: | RMCHMXPTUMFFBZ-UHFFFAOYSA-N |
Boiling Point: | 293.616 °C at 760 mmHg |
Density: | 1.607 g/cm3 |
MDL: | MFCD09878568 |
LogP: | 2.33580 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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