4-Iodo-1-methyl-3-phenyl-1H-pyrazole - CAS 1795503-22-8
Catalog: |
BB052472 |
Product Name: |
4-Iodo-1-methyl-3-phenyl-1H-pyrazole |
CAS: |
1795503-22-8 |
Synonyms: |
4-iodo-1-methyl-3-phenyl-1H-pyrazole |
IUPAC Name: | 4-iodo-1-methyl-3-phenylpyrazole |
Molecular Weight: | 284.10 |
Molecular Formula: | C10H9IN2 |
Canonical SMILES: | CN1C=C(C(=N1)C2=CC=CC=C2)I |
InChI: | InChI=1S/C10H9IN2/c1-13-7-9(11)10(12-13)8-5-3-2-4-6-8/h2-7H,1H3 |
InChI Key: | SOUIFOXXSMFKRP-UHFFFAOYSA-N |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.98105 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.98105 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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