6- (3-Chlorophenyl) picolinic acid

CAT: 0127-OR1044954-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044954-01Size:100 mg

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CAS Number

863704-38-5

MDL Number

MFCD06410059

Purity

95%

Smiles

O=C(O)C1=NC(C2=CC=CC(Cl)=C2)=CC=C1

Chemical Information

6-(3-Chlorophenyl)picolinic acid

CAS Number	863704-38-5
PubChem CID	24730135
IUPAC Name	6-(3-chlorophenyl)pyridine-2-carboxylic acid
Molecular Formula	C12H8ClNO2
Molecular Weight	233.65
XLogP	3
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	259

SMILES

C1=CC(=CC(=C1)Cl)C2=NC(=CC=C2)C(=O)O

InChI

InChI=1S/C12H8ClNO2/c13-9-4-1-3-8(7-9)10-5-2-6-11(14-10)12(15)16/h1-7H,(H,15,16)

InChIKey

GLIPKPBSIZTPBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 863704-38-5

CID: 24730135

Formula: C12H8ClNO2

MW: 233.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.65
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	233.0243562
Monoisotopic Mass	233.0243562
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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