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2600-64-8 | 1H-Pyrazole, 4-ethenyl-1-phenyl-
CAS No: 2600-64-8 Catalog No: AG002RC8 MDL No:
Product Description
Catalog Number:
AG002RC8
Chemical Name:
1H-Pyrazole, 4-ethenyl-1-phenyl-
CAS Number:
2600-64-8
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
4-ethenyl-1-phenylpyrazole
InChI:
InChI=1S/C11H10N2/c1-2-10-8-12-13(9-10)11-6-4-3-5-7-11/h2-9H,1H2
InChI Key:
JKEMTSULTWYJCT-UHFFFAOYSA-N
SMILES:
C=Cc1cnn(c1)c1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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