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89228-37-5 | Quinoline, 6-chloro-1,2,3,4-tetrahydro-2-methyl-4-phenyl-, trans-
CAS No: 89228-37-5 Catalog No: AG0043FS MDL No:
Product Description
Catalog Number:
AG0043FS
Chemical Name:
Quinoline, 6-chloro-1,2,3,4-tetrahydro-2-methyl-4-phenyl-, trans-
CAS Number:
89228-37-5
Molecular Formula:
C16H16ClN
Molecular Weight:
257.7579
IUPAC Name:
6-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C16H16ClN/c1-11-9-14(12-5-3-2-4-6-12)15-10-13(17)7-8-16(15)18-11/h2-8,10-11,14,18H,9H2,1H3
InChI Key:
WGIWDDBNLRPYPQ-UHFFFAOYSA-N
SMILES:
C[C@@H]1Nc2ccc(cc2[C@H](C1)c1ccccc1)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.761g/mol
Monoisotopic Mass:
257.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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