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77988-87-5 | Isoquinoline,3,4-dihydro-1,4-diphenyl-
CAS No: 77988-87-5 Catalog No: AG008NSA MDL No:
Product Description
Catalog Number:
AG008NSA
Chemical Name:
Isoquinoline,3,4-dihydro-1,4-diphenyl-
CAS Number:
77988-87-5
Molecular Formula:
C21H17N
Molecular Weight:
283.3664
IUPAC Name:
1,4-diphenyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C21H17N/c1-3-9-16(10-4-1)20-15-22-21(17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14,20H,15H2
InChI Key:
QKUOCVCFZXYNCT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CN=C(c2c1cccc2)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.374g/mol
Monoisotopic Mass:
283.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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