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88322-57-0 | Quinoline, 3-(3-chloro-2-butenyl)-2-methyl-4-phenoxy-
CAS No: 88322-57-0 Catalog No: AG0048BQ MDL No:
Product Description
Catalog Number:
AG0048BQ
Chemical Name:
Quinoline, 3-(3-chloro-2-butenyl)-2-methyl-4-phenoxy-
CAS Number:
88322-57-0
Molecular Formula:
C20H18ClNO
Molecular Weight:
323.8160
IUPAC Name:
3-(3-chlorobut-2-enyl)-2-methyl-4-phenoxyquinoline
InChI:
InChI=1S/C20H18ClNO/c1-14(21)12-13-17-15(2)22-19-11-7-6-10-18(19)20(17)23-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChI Key:
WPHWLMLGWOETCZ-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(C)nc2c(c1Oc1ccccc1)cccc2)Cl
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.82g/mol
Monoisotopic Mass:
323.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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