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3-Bromopyridazine

CAT: 0024-sc-483856Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-483856Size:250 mg
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CAS Number
88491-61-6

Chemical Information

3-Bromopyridazine
CAS Number88491-61-6
PubChem CID13126699
IUPAC Name3-bromopyridazine
Molecular FormulaC4H3BrN2
Molecular Weight158.98
XLogP0.2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
C1=CC(=NN=C1)Br
InChI
InChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKey
ILYSUJOMLYXAOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromopyridazine
CAS: 88491-61-6
CID: 13126699
Formula: C4H3BrN2
MW: 158.98
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.98
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass157.94796
Monoisotopic Mass157.94796
Topological Polar Surface Area25.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity57.7
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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