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5,6-Dibromonicotinonitrile

CAT: 0127-OR1038331-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1038331-01Size:5 g
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CAS Number
1214384-33-4
MDL Number
MFCD13185479
Purity
98%
Smiles
N#CC1=CC(Br)=C(N=C1)Br

Chemical Information

5,6-Dibromonicotinonitrile
CAS Number1214384-33-4
PubChem CID89405383
IUPAC Name5,6-dibromopyridine-3-carbonitrile
Molecular FormulaC6H2Br2N2
Molecular Weight261.90
XLogP2.3
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity162
SMILES
C1=C(C=NC(=C1Br)Br)C#N
InChI
InChI=1S/C6H2Br2N2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H
InChIKey
LXORSTZXVUELDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dibromonicotinonitrile
CAS: 1214384-33-4
CID: 89405383
Formula: C6H2Br2N2
MW: 261.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.90
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass261.85642
Monoisotopic Mass259.85847
Topological Polar Surface Area36.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
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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