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2,4-Dibromonicotinic acid

CAT: 0127-OR84050-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR84050-01Size:250 mg
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CAS Number
1269291-41-9
MDL Number
MFCD18262257
Purity
95%
Smiles
C1=CN=C(C(=C1Br)C(=O)O)Br

Chemical Information

2,4-Dibromonicotinic acid
CAS Number1269291-41-9
PubChem CID75464817
IUPAC Name2,4-dibromopyridine-3-carboxylic acid
Molecular FormulaC6H3Br2NO2
Molecular Weight280.90
XLogP2.1
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CN=C(C(=C1Br)C(=O)O)Br
InChI
InChI=1S/C6H3Br2NO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11)
InChIKey
MJSYWAFSWWCKTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromonicotinic acid
CAS: 1269291-41-9
CID: 75464817
Formula: C6H3Br2NO2
MW: 280.90
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.90
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass280.85100
Monoisotopic Mass278.85305
Topological Polar Surface Area50.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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