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88571-63-5 | 4-Quinolinol, 3-(2,3-dibromo-3,3-dichloropropyl)-2-methyl-
CAS No: 88571-63-5 Catalog No: AG004BVL MDL No:
Product Description
Catalog Number:
AG004BVL
Chemical Name:
4-Quinolinol, 3-(2,3-dibromo-3,3-dichloropropyl)-2-methyl-
CAS Number:
88571-63-5
Molecular Formula:
C13H11Br2Cl2NO
Molecular Weight:
427.9465
IUPAC Name:
3-(2,3-dibromo-3,3-dichloropropyl)-2-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C13H11Br2Cl2NO/c1-7-9(6-11(14)13(15,16)17)12(19)8-4-2-3-5-10(8)18-7/h2-5,11H,6H2,1H3,(H,18,19)
InChI Key:
KFXDTLGMFRWDEY-UHFFFAOYSA-N
SMILES:
BrC(C(Br)(Cl)Cl)Cc1c(C)nc2c(c1O)cccc2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.856g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.945g/mol
Monoisotopic Mass:
424.858g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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