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MRZ 2-514 50mg

CAT: 0628-A20277-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20277-50Size:50 mg
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CAS Number
202808-11-5

Chemical Information

8-Bromo-4,5-dihydroxypyridazino[4,5-b]quinolin-1-one
CAS Number202808-11-5
PubChem CID9801704
IUPAC Name8-bromo-4,5-dihydroxypyridazino[4,5-b]quinolin-1-one
Molecular FormulaC11H6BrN3O3
Molecular Weight308.09
XLogP2.7
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity500
SMILES
C1=CC2=C(C=C1Br)C=C3C(=C(N=NC3=O)O)N2O
InChI
InChI=1S/C11H6BrN3O3/c12-6-1-2-8-5(3-6)4-7-9(15(8)18)11(17)14-13-10(7)16/h1-4,17-18H
InChIKey
AXFGZZXFEDISAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-4,5-dihydroxypyridazino[4,5-b]quinolin-1-one
CAS: 202808-11-5
CID: 9801704
Formula: C11H6BrN3O3
MW: 308.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.09
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass306.95925
Monoisotopic Mass306.95925
Topological Polar Surface Area85.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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