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14714-06-8 | 1H-Indazole, 4,5,6,7-tetrahydro-1-phenyl-
CAS No: 14714-06-8 Catalog No: AG001ENT MDL No:
Product Description
Catalog Number:
AG001ENT
Chemical Name:
1H-Indazole, 4,5,6,7-tetrahydro-1-phenyl-
CAS Number:
14714-06-8
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
1-phenyl-4,5,6,7-tetrahydroindazole
InChI:
InChI=1S/C13H14N2/c1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15/h1-3,7-8,10H,4-6,9H2
InChI Key:
ZGBVBTYRFINFCZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1ncc2c1CCCC2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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