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Broquinaldol

CAT: 0013-GTR19241790-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241790-01Size:50 mg
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Description
Broquinaldol is a halogenated quinoline derivative, also classified as a halogenated phenazine. It has been investigated in vitro for its antimicrobial properties and serves as a research chemical in studies of infectious diseases.
CAS Number
15599-52-7
Smiles
BrC=1C=C (Br) C=2C=CC (=NC2C1O) C
Molecular Formula
C10H7Br2NO
Molecular Weight
316.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Broquinaldol

Broquinaldol is a small molecule drug. Broquinaldol has a monoisotopic molecular weight of 314.89 Da.

CAS Number15599-52-7
PubChem CID65620
IUPAC Name5,7-dibromo-2-methylquinolin-8-ol
Molecular FormulaC10H7Br2NO
Molecular Weight316.98
XLogP3.6
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity214
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)Br)Br
InChI
InChI=1S/C10H7Br2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey
BNACJQWJZKPAPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Broquinaldol
CAS: 15599-52-7
CID: 65620
Formula: C10H7Br2NO
MW: 316.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.98
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass316.88739
Monoisotopic Mass314.88944
Topological Polar Surface Area33.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity214
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

Alternative Products

CatalogName
HY-W158119Broquinaldol

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