Methyl 1-(chloromethyl)-1H-pyrazole-4-carboxylate - CAS 860807-43-8
Catalog: |
BB049509 |
Product Name: |
Methyl 1-(chloromethyl)-1H-pyrazole-4-carboxylate |
CAS: |
860807-43-8 |
Synonyms: |
methyl1-(chloromethyl)-1H-pyrazole-4-carboxylate |
IUPAC Name: | methyl 1-(chloromethyl)pyrazole-4-carboxylate |
Description: | Methyl 1-(chloromethyl)-1H-pyrazole-4-carboxylate (CAS# 860807-43-8 ) is a useful research chemical. |
Molecular Weight: | 174.58 |
Molecular Formula: | C6H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=CN(N=C1)CCl |
InChI: | InChI=1S/C6H7ClN2O2/c1-11-6(10)5-2-8-9(3-5)4-7/h2-3H,4H2,1H3 |
InChI Key: | LVDZENHVICIXNT-UHFFFAOYSA-N |
Boiling Point: | 258.8±20.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0196052 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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