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82894-63-1 | Isoquinoline, 4-ethyl-1-phenyl-
CAS No: 82894-63-1 Catalog No: AG008HRO MDL No:
Product Description
Catalog Number:
AG008HRO
Chemical Name:
Isoquinoline, 4-ethyl-1-phenyl-
CAS Number:
82894-63-1
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
4-ethyl-1-phenylisoquinoline
InChI:
InChI=1S/C17H15N/c1-2-13-12-18-17(14-8-4-3-5-9-14)16-11-7-6-10-15(13)16/h3-12H,2H2,1H3
InChI Key:
GWSWPJBADSKOOM-UHFFFAOYSA-N
SMILES:
CCc1cnc(c2c1cccc2)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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