3,6-Dibromo-4-hydroxyquinoline

CAT: 0024-sc-289354ASize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-289354ASize:500 mg

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CAS Number

857758-88-4

Chemical Information

3,6-Dibromo-4-hydroxyquinoline

CAS Number	857758-88-4
PubChem CID	15643036
IUPAC Name	3,6-dibromo-1H-quinolin-4-one
Molecular Formula	C9H5Br2NO
Molecular Weight	302.95
XLogP	3.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	264

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=CN2)Br

InChI

InChI=1S/C9H5Br2NO/c10-5-1-2-8-6(3-5)9(13)7(11)4-12-8/h1-4H,(H,12,13)

InChIKey

OMKUVZZMSAFTLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 857758-88-4

CID: 15643036

Formula: C9H5Br2NO

MW: 302.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.95
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	302.87174
Monoisotopic Mass	300.87379
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-266990	3,6-Dinitro-4-hydroxyquinoline
sc-289355A	3,6-Dichloro-4-hydroxyquinoline
sc-289355	3,6-Dichloro-4-hydroxyquinoline
sc-289007A	3-Bromo-6-fluoro-4-hydroxyquinoline
sc-289005A	3-Bromo-6-chloro-4-hydroxyquinoline
sc-289005	3-Bromo-6-chloro-4-hydroxyquinoline
sc-289073	3-Chloro-6-bromo-4-hydroxyquinoline
sc-289357	3,6,8-Trichloro-4-hydroxyquinoline
sc-289007	3-Bromo-6-fluoro-4-hydroxyquinoline
sc-289073A	3-Chloro-6-bromo-4-hydroxyquinoline