4-Iodo-1-propyl-1H-pyrazole-5-carboxylic acid - CAS 1354705-23-9
Catalog: |
BB052079 |
Product Name: |
4-Iodo-1-propyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1354705-23-9 |
Synonyms: |
4-iodo-1-propylpyrazole-5-carboxylic acid |
IUPAC Name: | 4-iodo-2-propylpyrazole-3-carboxylic acid |
Molecular Weight: | 280.06 |
Molecular Formula: | C7H9IN2O2 |
Canonical SMILES: | CCCN1C(=C(C=N1)I)C(=O)O |
InChI: | InChI=1S/C7H9IN2O2/c1-2-3-10-6(7(11)12)5(8)4-9-10/h4H,2-3H2,1H3,(H,11,12) |
InChI Key: | GKDDIAFYUSEVGO-UHFFFAOYSA-N |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.97088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.97088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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