4- (4-Chlorophenyl) picolinic acid

CAT: 0127-OR85292-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR85292-01Size:250 mg

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CAS Number

1258612-04-2

MDL Number

MFCD18085942

Purity

98%

Smiles

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

Chemical Information

4-(4-Chlorophenyl)pyridine-2-carboxylic acid

CAS Number	1258612-04-2
PubChem CID	53223010
IUPAC Name	4-(4-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	251

SMILES

C1=CC(=CC=C1C2=CC(=NC=C2)C(=O)O)Cl

InChI

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

InChIKey

STMWJUORSCVRKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1258612-04-2

CID: 53223010

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	251
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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