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52839-45-9 | 3,4-DIPHENYLISOQUINOLINE
CAS No: 52839-45-9 Catalog No: AG00DC49 MDL No:
Product Description
Catalog Number:
AG00DC49
Chemical Name:
3,4-DIPHENYLISOQUINOLINE
CAS Number:
52839-45-9
Molecular Formula:
C21H15N
Molecular Weight:
281.3505
IUPAC Name:
3,4-diphenylisoquinoline
InChI:
InChI=1S/C21H15N/c1-3-9-16(10-4-1)20-19-14-8-7-13-18(19)15-22-21(20)17-11-5-2-6-12-17/h1-15H
InChI Key:
QHFUKURHZOIMPE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2c(c1c1ccccc1)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.358g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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