4-(3-Chloropropyl)-1-methyl-1H-pyrazole - CAS 1186137-01-8
Catalog: |
BB051939 |
Product Name: |
4-(3-Chloropropyl)-1-methyl-1H-pyrazole |
CAS: |
1186137-01-8 |
Synonyms: |
4-(3-chloropropyl)-1-methyl-1H-pyrazole |
IUPAC Name: | 4-(3-chloropropyl)-1-methylpyrazole |
Molecular Weight: | 158.63 |
Molecular Formula: | C7H11ClN2 |
Canonical SMILES: | CN1C=C(C=N1)CCCCl |
InChI: | InChI=1S/C7H11ClN2/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4H2,1H3 |
InChI Key: | XIMONARFMMNQBQ-UHFFFAOYSA-N |
Complexity: | 97.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0610761 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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