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2-Bromo-7-chlorophenazine

CAT: 0127-OR40772-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR40772-01Size:250 mg
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CAS Number
29453-79-0
MDL Number
MFCD31920065
Purity
95%
Smiles
Clc1ccc2nc3cc(Br)ccc3nc2c1

Chemical Information

2-Bromo-7-chlorophenazine
CAS Number29453-79-0
PubChem CID101070056
IUPAC Name2-bromo-7-chlorophenazine
Molecular FormulaC12H6BrClN2
Molecular Weight293.54
XLogP4
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity263
SMILES
C1=CC2=C(C=C1Cl)N=C3C=CC(=CC3=N2)Br
InChI
InChI=1S/C12H6BrClN2/c13-7-1-3-9-11(5-7)15-10-4-2-8(14)6-12(10)16-9/h1-6H
InChIKey
DAYLPJSPWLINLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-7-chlorophenazine
CAS: 29453-79-0
CID: 101070056
Formula: C12H6BrClN2
MW: 293.54
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.54
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass291.94029
Monoisotopic Mass291.94029
Topological Polar Surface Area25.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity263
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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