4-Bromo-5-fluoro-1-methyl-1H-pyrazole - CAS 1783510-78-0
Catalog: |
BB013450 |
Product Name: |
4-Bromo-5-fluoro-1-methyl-1H-pyrazole |
CAS: |
1783510-78-0 |
Synonyms: |
4-bromo-5-fluoro-1-methylpyrazole; 4-bromo-5-fluoro-1-methylpyrazole |
IUPAC Name: | 4-bromo-5-fluoro-1-methylpyrazole |
Description: | 4-Bromo-5-fluoro-1-methyl-1H-pyrazole (CAS# 1783510-78-0) is a useful research chemical. |
Molecular Weight: | 178.99 |
Molecular Formula: | C4H4BrFN2 |
Canonical SMILES: | CN1C(=C(C=N1)Br)F |
InChI: | InChI=1S/C4H4BrFN2/c1-8-4(6)3(5)2-7-8/h2H,1H3 |
InChI Key: | HYHKYBVIDZJMNU-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020037590-A | Pyrazolo compounds and uses thereof | 20130313 |
Complexity: | 90.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.95419 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.95419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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