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88571-60-2 | Benzo[h]quinolin-4-ol, 3-(3-chloro-2-butenyl)-2-methyl-
CAS No: 88571-60-2 Catalog No: AG004BVN MDL No:
Product Description
Catalog Number:
AG004BVN
Chemical Name:
Benzo[h]quinolin-4-ol, 3-(3-chloro-2-butenyl)-2-methyl-
CAS Number:
88571-60-2
Molecular Formula:
C18H16ClNO
Molecular Weight:
297.7787
IUPAC Name:
3-(3-chlorobut-2-enyl)-2-methyl-1H-benzo[h]quinolin-4-one
InChI:
InChI=1S/C18H16ClNO/c1-11(19)7-9-14-12(2)20-17-15-6-4-3-5-13(15)8-10-16(17)18(14)21/h3-8,10H,9H2,1-2H3,(H,20,21)
InChI Key:
LZGLSNOSGGDQJB-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(C)nc2c(c1O)ccc1c2cccc1)Cl
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.782g/mol
Monoisotopic Mass:
297.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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