1-Allylindazole - CAS 22499-48-5
Catalog: |
BB076958 |
Product Name: |
1-Allylindazole |
CAS: |
22499-48-5 |
Synonyms: |
1-Allyl-1H-indazole; 1-(Prop-2-en-1-yl)-1H-indazole; 1H-Indazole, 1-(2-propen-1-yl)-; 1-(2-Propen-1-yl)-1H-indazole; 1H-Indazole, 1-allyl-; 1H-Indazole, 1-(2-propenyl)- |
IUPAC Name: | 1-prop-2-enylindazole |
Molecular Weight: | 158.20 |
Molecular Formula: | C10H10N2 |
Canonical SMILES: | C=CCN1C2=CC=CC=C2C=N1 |
InChI: | InChI=1S/C10H10N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h2-6,8H,1,7H2 |
InChI Key: | PANAIEZCVNNLSI-UHFFFAOYSA-N |
Boiling Point: | 285.4±19.0°C at 760 mmHg |
Melting Point: | 126°C |
Density: | 1.016±0.1 g/cm3 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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