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116690-73-4 | 6H-Cyclohepta[b]quinoline, 2-chloro-7,8,9,10-tetrahydro-11-phenyl-
CAS No: 116690-73-4 Catalog No: AG000CZO MDL No:
Product Description
Catalog Number:
AG000CZO
Chemical Name:
6H-Cyclohepta[b]quinoline, 2-chloro-7,8,9,10-tetrahydro-11-phenyl-
CAS Number:
116690-73-4
Molecular Formula:
C20H18ClN
Molecular Weight:
307.8166
IUPAC Name:
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
InChI:
InChI=1S/C20H18ClN/c21-15-11-12-19-17(13-15)20(14-7-3-1-4-8-14)16-9-5-2-6-10-18(16)22-19/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChI Key:
HBNZDGCXVZUAOA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(c1ccccc1)c1c(n2)CCCCC1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.113g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.821g/mol
Monoisotopic Mass:
307.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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