Methyl 5-(2-Bromophenyl)-1H-pyrazole-3-carboxylate - CAS 1035235-11-0
Catalog: |
BB001165 |
Product Name: |
Methyl 5-(2-Bromophenyl)-1H-pyrazole-3-carboxylate |
CAS: |
1035235-11-0 |
Synonyms: |
3-(2-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester; methyl 3-(2-bromophenyl)-1H-pyrazole-5-carboxylate |
IUPAC Name: | methyl 3-(2-bromophenyl)-1H-pyrazole-5-carboxylate |
Description: | Methyl 5-(2-Bromophenyl)-1H-pyrazole-3-carboxylate (CAS# 1035235-11-0) is a useful research chemical. |
Molecular Weight: | 281.11 |
Molecular Formula: | C11H9BrN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=NN1)C2=CC=CC=C2Br |
InChI: | InChI=1S/C11H9BrN2O2/c1-16-11(15)10-6-9(13-14-10)7-4-2-3-5-8(7)12/h2-6H,1H3,(H,13,14) |
InChI Key: | FZYWALYUEMDSIG-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD12400790 |
LogP: | 2.62580 |
Publication Number | Title | Priority Date |
EP-2125778-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | 20061222 |
JP-2010513519-A | Certain pyrazoline derivatives with kinase inhibitor activity | 20061222 |
US-2008171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | 20061222 |
US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | 20061222 |
WO-2008079277-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | 20061222 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.98474 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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