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4- (4-Bromophenyl) pyridazine

CAT: 0926-WPC46876-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WPC46876-01Size:50 mg
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CAS Number
1621468-76-5
MDL Number
MFCD31666994
Smiles
C1=CC (=CC=C1C2=CN=NC=C2) Br
Molecular Formula
C10H7BrN2
Molecular Weight
235.08 g/mol
Controlled
No

Chemical Information

4-(4-Bromophenyl)pyridazine
CAS Number1621468-76-5
PubChem CID89835916
IUPAC Name4-(4-bromophenyl)pyridazine
Molecular FormulaC10H7BrN2
Molecular Weight235.08
XLogP2.2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
C1=CC(=CC=C1C2=CN=NC=C2)Br
InChI
InChI=1S/C10H7BrN2/c11-10-3-1-8(2-4-10)9-5-6-12-13-7-9/h1-7H
InChIKey
NLPKTLAIVIEBIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromophenyl)pyridazine
CAS: 1621468-76-5
CID: 89835916
Formula: C10H7BrN2
MW: 235.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.08
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass233.97926
Monoisotopic Mass233.97926
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
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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