1-Benzyl-3-(chloromethyl)pyrazole - CAS 211946-09-7
Catalog: |
BB016681 |
Product Name: |
1-Benzyl-3-(chloromethyl)pyrazole |
CAS: |
211946-09-7 |
Synonyms: |
3-(chloromethyl)-1-(phenylmethyl)pyrazole; 1-benzyl-3-(chloromethyl)pyrazole |
IUPAC Name: | 1-benzyl-3-(chloromethyl)pyrazole |
Description: | 1-Benzyl-3-(chloromethyl)pyrazole (CAS# 211946-09-7 ) is a useful research chemical. |
Molecular Weight: | 206.67 |
Molecular Formula: | C11H11ClN2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=CC(=N2)CCl |
InChI: | InChI=1S/C11H11ClN2/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9H2 |
InChI Key: | KRXRSWGHLHCORV-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2005301626-A1 | Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof | 20041104 |
AU-2005301626-B2 | Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof | 20041104 |
KR-0139977-B1 | Benzimidazole derivatives containing pyrazole | 19950316 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0610761 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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