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6- (4-Chlorophenyl) picolinic acid

CAT: 0926-KFA43277-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-KFA43277-01Size:250 mg
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CAS Number
135432-77-8
MDL Number
MFCD06410060
Smiles
C1=CC (=NC (=C1) C (=O) O) C2=CC=C (C=C2) Cl
Molecular Formula
C12H8ClNO2
Molecular Weight
233.65 g/mol
Controlled
No

Chemical Information

6-(4-Chlorophenyl)picolinic acid
CAS Number135432-77-8
PubChem CID24730136
IUPAC Name6-(4-chlorophenyl)pyridine-2-carboxylic acid
Molecular FormulaC12H8ClNO2
Molecular Weight233.65
XLogP3
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity251
SMILES
C1=CC(=NC(=C1)C(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8ClNO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14-10)12(15)16/h1-7H,(H,15,16)
InChIKey
JFMADCMXBNACFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Chlorophenyl)picolinic acid
CAS: 135432-77-8
CID: 24730136
Formula: C12H8ClNO2
MW: 233.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.65
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.0243562
Monoisotopic Mass233.0243562
Topological Polar Surface Area50.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity251
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