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16340-48-0 | Quinoxaline, 4a,5,6,7,8,8a-hexahydro-2,3-diphenyl-, (4aR,8aR)-rel-
CAS No: 16340-48-0 Catalog No: AG001U2X MDL No:
Product Description
Catalog Number:
AG001U2X
Chemical Name:
Quinoxaline, 4a,5,6,7,8,8a-hexahydro-2,3-diphenyl-, (4aR,8aR)-rel-
CAS Number:
16340-48-0
Molecular Formula:
C20H20N2
Molecular Weight:
288.3862
IUPAC Name:
2,3-diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline
InChI:
InChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19/h1-6,9-12,17-18H,7-8,13-14H2
InChI Key:
JSFFVTOWHIABBA-UHFFFAOYSA-N
SMILES:
C1CC[C@@H]2[C@@H](C1)N=C(C(=N2)c1ccccc1)c1ccccc1
NSC Number:
150009
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.394g/mol
Monoisotopic Mass:
288.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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