3-(4-Chloro-1-methyl-1H-pyrazol-5-yl)propanoic acid - CAS 1006483-04-0
Catalog: |
BB048544 |
Product Name: |
3-(4-Chloro-1-methyl-1H-pyrazol-5-yl)propanoic acid |
CAS: |
1006483-04-0 |
Synonyms: |
3-(4-chloro-1-methylpyrazol-5-yl)propanoic acid; 1H-Pyrazole-5-propanoic acid, 4-chloro-1-methyl- |
IUPAC Name: | 3-(4-chloro-2-methylpyrazol-3-yl)propanoic acid |
Description: | 3-(4-Chloro-1-methyl-1H-pyrazol-5-yl)propanoic acid (CAS# 1006483-04-0 ) is a useful research chemical. |
Molecular Weight: | 188.61 |
Molecular Formula: | C7H9ClN2O2 |
Canonical SMILES: | CN1C(=C(C=N1)Cl)CCC(=O)O |
InChI: | InChI=1S/C7H9ClN2O2/c1-10-6(2-3-7(11)12)5(8)4-9-10/h4H,2-3H2,1H3,(H,11,12) |
InChI Key: | ZHNILXQNUSZZEY-UHFFFAOYSA-N |
Boiling Point: | 346.5±27.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0352552 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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