Ethyl 3-Bromo-1H-pyrazole-5-carboxylate - CAS 1886994-07-5
Catalog: |
BB066047 |
Product Name: |
Ethyl 3-Bromo-1H-pyrazole-5-carboxylate |
CAS: |
1886994-07-5 |
Synonyms: |
ethyl 5-bromo-1H-pyrazole-3-carboxylate; Ethyl 3-bromo-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 5-bromo-1H-pyrazole-3-carboxylate |
Molecular Weight: | 219.04 |
Molecular Formula: | C6H7BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)Br |
InChI: | InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9) |
InChI Key: | WTWIBLHEPZYWRK-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.96909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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