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860715-45-3 | 4-Quinolinol,3-bromo-7-chloro-
CAS No: 860715-45-3 Catalog No: AG004U39 MDL No:
Product Description
Catalog Number:
AG004U39
Chemical Name:
4-Quinolinol,3-bromo-7-chloro-
CAS Number:
860715-45-3
Molecular Formula:
C9H5BrClNO
Molecular Weight:
258.4991
IUPAC Name:
3-bromo-7-chloro-1H-quinolin-4-one
InChI:
InChI=1S/C9H5BrClNO/c10-7-4-12-8-3-5(11)1-2-6(8)9(7)13/h1-4H,(H,12,13)
InChI Key:
YXLUYGBVZYIGDK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ncc(c2O)Br
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.924g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.499g/mol
Monoisotopic Mass:
256.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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