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6-Bromo-phthalazine

CAT: 0024-sc-357894ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-357894ASize:100 mg
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CAS Number
19064-74-5

Chemical Information

6-Bromophthalazine
CAS Number19064-74-5
PubChem CID610436
IUPAC Name6-bromophthalazine
Molecular FormulaC8H5BrN2
Molecular Weight209.04
XLogP1.8
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC2=CN=NC=C2C=C1Br
InChI
InChI=1S/C8H5BrN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
InChIKey
PEXFBIQTIZNHNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromophthalazine
CAS: 19064-74-5
CID: 610436
Formula: C8H5BrN2
MW: 209.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.04
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass207.96361
Monoisotopic Mass207.96361
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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