1-Benzyl-4-(chloromethyl)pyrazole Hydrochloride - CAS 861135-54-8
Catalog: |
BB037830 |
Product Name: |
1-Benzyl-4-(chloromethyl)pyrazole Hydrochloride |
CAS: |
861135-54-8 |
Synonyms: |
4-(chloromethyl)-1-(phenylmethyl)pyrazole;hydrochloride; 1-benzyl-4-(chloromethyl)pyrazole;hydrochloride |
IUPAC Name: | 1-benzyl-4-(chloromethyl)pyrazole;hydrochloride |
Description: | 1-Benzyl-4-(chloromethyl)pyrazole Hydrochloride (CAS# 861135-54-8) is a useful research chemical. |
Molecular Weight: | 243.13 |
Molecular Formula: | C11H12Cl2N2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=C(C=N2)CCl.Cl |
InChI: | InChI=1S/C11H11ClN2.ClH/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10;/h1-5,7,9H,6,8H2;1H |
InChI Key: | LKFMOTBEHVZUHU-UHFFFAOYSA-N |
LogP: | 3.47220 |
Publication Number | Title | Priority Date |
AU-2005205311-A1 | Malononitrile compound as pesticides | 20040116 |
AU-2005205311-B2 | Malononitrile compound as pesticides | 20040116 |
CA-2547057-C | Malononitrile compound and use thereof | 20040116 |
CN-1910156-A | Malononitrile compound as pesticide | 20040116 |
CN-1910156-B | Malononitrile compound as pesticide | 20040116 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0377538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0377538 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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