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Home > Bromides > 1021913-04-1
1021913-04-1 | 4-Quinolinol, 3-bromo-7-chloro-6-iodo-
CAS No: 1021913-04-1 Catalog No: AG0006UC MDL No:
Product Description
Catalog Number:
AG0006UC
Chemical Name:
4-Quinolinol, 3-bromo-7-chloro-6-iodo-
CAS Number:
1021913-04-1
Molecular Formula:
C9H4BrClINO
Molecular Weight:
384.3956
IUPAC Name:
3-bromo-7-chloro-6-iodo-1H-quinolin-4-one
InChI:
InChI=1S/C9H4BrClINO/c10-5-3-13-8-2-6(11)7(12)1-4(8)9(5)14/h1-3H,(H,13,14)
InChI Key:
FLHMZLJOAWADLL-UHFFFAOYSA-N
SMILES:
Clc1cc2ncc(c(c2cc1I)O)Br
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.821g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.395g/mol
Monoisotopic Mass:
382.821g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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