Ethyl 4-(Bromomethyl)-1,3-dimethyl-1H-pyrazole-5-carboxylate - CAS 166313-49-1
Catalog: |
BB012263 |
Product Name: |
Ethyl 4-(Bromomethyl)-1,3-dimethyl-1H-pyrazole-5-carboxylate |
CAS: |
166313-49-1 |
Synonyms: |
4-(bromomethyl)-2,5-dimethyl-3-pyrazolecarboxylic acid ethyl ester; ethyl 4-(bromomethyl)-2,5-dimethylpyrazole-3-carboxylate |
IUPAC Name: | ethyl 4-(bromomethyl)-2,5-dimethylpyrazole-3-carboxylate |
Description: | Ethyl 4-(Bromomethyl)-1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS# 166313-49-1 ) is a useful research chemical. |
Molecular Weight: | 261.12 |
Molecular Formula: | C9H13BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=NN1C)C)CBr |
InChI: | InChI=1S/C9H13BrN2O2/c1-4-14-9(13)8-7(5-10)6(2)11-12(8)3/h4-5H2,1-3H3 |
InChI Key: | DYOBCGBVXCODKN-UHFFFAOYSA-N |
LogP: | 1.80010 |
Publication Number | Title | Priority Date |
EP-0658547-A1 | N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof | 19931214 |
EP-0658547-B1 | N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof | 19931214 |
JP-H07258219-A | N-pyrazolyl carbamate derivatives and agricultural and horticultural fungicides containing the same as active ingredients | 19931214 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.01604 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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