Methyl 1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate - CAS 1172465-25-6
Catalog: |
BB048022 |
Product Name: |
Methyl 1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate |
CAS: |
1172465-25-6 |
Synonyms: |
methyl1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 1-[(3-chlorophenyl)methyl]pyrazole-4-carboxylate |
Description: | Methyl 1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate (CAS# 1172465-25-6 ) is a useful research chemical. |
Molecular Weight: | 250.68 |
Molecular Formula: | C12H11ClN2O2 |
Canonical SMILES: | COC(=O)C1=CN(N=C1)CC2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C12H11ClN2O2/c1-17-12(16)10-6-14-15(8-10)7-9-3-2-4-11(13)5-9/h2-6,8H,7H2,1H3 |
InChI Key: | VBBUNUXWJXTZEP-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0509053 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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