Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate - CAS 1454848-19-1
Catalog: |
BB009959 |
Product Name: |
Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate |
CAS: |
1454848-19-1 |
Synonyms: |
4-bromo-5-(bromomethyl)-2-methyl-3-pyrazolecarboxylic acid ethyl ester; ethyl 4-bromo-5-(bromomethyl)-2-methylpyrazole-3-carboxylate |
IUPAC Name: | ethyl 4-bromo-5-(bromomethyl)-2-methylpyrazole-3-carboxylate |
Description: | Ethyl 4-Bromo-3-(bromomethyl)-1-methylpyrazole-5-carboxylate (CAS# 1454848-19-1 ) is a useful research chemical. |
Molecular Weight: | 325.99 |
Molecular Formula: | C8H10Br2N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=NN1C)CBr)Br |
InChI: | InChI=1S/C8H10Br2N2O2/c1-3-14-8(13)7-6(10)5(4-9)11-12(7)2/h3-4H2,1-2H3 |
InChI Key: | ZKLIVYLJJONLRY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-113336703-A | Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives | 20210517 |
CA-3024482-A1 | Macrocyclic indole derivatives | 20160519 |
EP-3458459-A1 | Macrocyclic indole derivatives | 20160519 |
JP-2019518747-A | Macrocyclic indole derivatives | 20160519 |
TW-201808957-A | Macrocyclic guanidine derivative | 20160519 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.90885 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.9109 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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