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102693-99-2 | 2H-Benz[g]indazole, 3,3a,4,5-tetrahydro-2,3-diphenyl-, cis- (9CI)
CAS No: 102693-99-2 Catalog No: AG00085I MDL No:
Product Description
Catalog Number:
AG00085I
Chemical Name:
2H-Benz[g]indazole, 3,3a,4,5-tetrahydro-2,3-diphenyl-, cis- (9CI)
CAS Number:
102693-99-2
Molecular Formula:
C23H20N2
Molecular Weight:
324.4183
IUPAC Name:
2,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole
InChI:
InChI=1S/C23H20N2/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-25(23)19-12-5-2-6-13-19/h1-14,21,23H,15-16H2
InChI Key:
MDOHFFBWIZWWNU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1N=C2[C@H]([C@@H]1c1ccccc1)CCc1c2cccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.427g/mol
Monoisotopic Mass:
324.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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