Methyl 1-phenyl-1H-pyrazole-4-carboxylate - CAS 7188-96-7
Catalog: |
BB034492 |
Product Name: |
Methyl 1-phenyl-1H-pyrazole-4-carboxylate |
CAS: |
7188-96-7 |
Synonyms: |
methyl 1-phenylpyrazole-4-carboxylate |
IUPAC Name: | methyl 1-phenylpyrazole-4-carboxylate |
Description: | Methyl 1-phenyl-1H-pyrazole-4-carboxylate (CAS# 7188-96-7) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C11H10N2O2 |
Canonical SMILES: | COC(=O)C1=CN(N=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C11H10N2O2/c1-15-11(14)9-7-12-13(8-9)10-5-3-2-4-6-10/h2-8H,1H3 |
InChI Key: | KWBAYDFXUVGRPW-UHFFFAOYSA-N |
LogP: | 1.65890 |
Publication Number | Title | Priority Date |
BE-1013482-A5 | Method for preparing heterocycles. | 20000128 |
DE-10061212-A1 | Process for the preparation of heterocyclic compounds | 20000128 |
US-6153752-A | Process for preparing heterocycles | 20000128 |
US-6031110-A | Ortho-substituted 2-methoxyiminophenyl-N-methylacetamides | 19930223 |
US-6605631-B1 | Ortho-substituted 2-methoxyiminophenyl-N-methylacetamides | 19930223 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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