Quinoline,7-chloro-2-[2-[3-(1,3,4,5-tetrahydro-1,1-dimethyl-2-benzoxepin-3-yl)phenyl]ethenyl]-


Chemical Name: Quinoline,7-chloro-2-[2-[3-(1,3,4,5-tetrahydro-1,1-dimethyl-2-benzoxepin-3-yl)phenyl]ethenyl]-
CAS Number: 168214-67-3
Product Number: AG00ADB8(AGN-PC-0Q97YW)
Synonyms:
MDL No:
Molecular Formula: C29H26ClNO
Molecular Weight: 439.97584

Identification/Properties


Computed Properties
Molecular Weight:
439.983g/mol
XLogP3:
7.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
439.17g/mol
Monoisotopic Mass:
439.17g/mol
Topological Polar Surface Area:
22.1A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
647
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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