Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate - CAS 385831-39-0
Catalog: |
BB065830 |
Product Name: |
Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate |
CAS: |
385831-39-0 |
Synonyms: |
Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate; ETHYL 2-(4-BROMOPHENYL)-5-METHYLPYRAZOLE-3-CARBOXYLATE; Ethyl1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 2-(4-bromophenyl)-5-methylpyrazole-3-carboxylate |
Description: | Ethyl 1-(4-bromophenyl)-3-methyl-1H-pyrazole-5-carboxylate |
Molecular Weight: | 309.16 |
Molecular Formula: | C13H13BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=NN1C2=CC=C(C=C2)Br)C |
InChI: | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-8-9(2)15-16(12)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3 |
InChI Key: | HOABFDHEOPEUSD-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.01604 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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