1-(2-Chloroethyl)-3-methyl-1H-pyrazole - CAS 96450-55-4
Catalog: |
BB041974 |
Product Name: |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole |
CAS: |
96450-55-4 |
Synonyms: |
1-(2-chloroethyl)-3-methylpyrazole |
IUPAC Name: | 1-(2-chloroethyl)-3-methylpyrazole |
Description: | 1-(2-Chloroethyl)-3-methyl-1H-pyrazole (CAS# 96450-55-4) is a useful research chemical. |
Molecular Weight: | 144.60 |
Molecular Formula: | C6H9ClN2 |
Canonical SMILES: | CC1=NN(C=C1)CCCl |
InChI: | InChI=1S/C6H9ClN2/c1-6-2-4-9(8-6)5-3-7/h2,4H,3,5H2,1H3 |
InChI Key: | AURQGZNPLSCBKR-UHFFFAOYSA-N |
Boiling Point: | 213.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
LogP: | 1.43030 |
Publication Number | Title | Priority Date |
CN-105916840-B | Benzazolyl compounds | 20140114 |
EP-3095781-A1 | Indole compound | 20140114 |
EP-3095781-B1 | Indole compound | 20140114 |
ES-2694049-T3 | Indole compound | 20140114 |
KR-20160100998-A | Indole compound | 20140114 |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.045426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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