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144202-85-7 | 2H-Indazole, 3,3a,4,5,6,7-hexahydro-2-methyl-3-phenyl-
CAS No: 144202-85-7 Catalog No: AG001J44 MDL No:
Product Description
Catalog Number:
AG001J44
Chemical Name:
2H-Indazole, 3,3a,4,5,6,7-hexahydro-2-methyl-3-phenyl-
CAS Number:
144202-85-7
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
2-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole
InChI:
InChI=1S/C14H18N2/c1-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15-16/h2-4,7-8,12,14H,5-6,9-10H2,1H3
InChI Key:
HFXZIDGPVBVXAX-UHFFFAOYSA-N
SMILES:
CN1N=C2C(C1c1ccccc1)CCCC2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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