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4,6-Dichloronicotinic acid

CAT: 0572-TRC-D435638-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D435638-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73027-79-9
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(=O)c1cnc(Cl)cc1Cl
Molecular Formula
C6 H3 Cl2 N O2
Molecular Weight
192
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
Additionnal Information
IUPAC name: 4,6-dichloropyridine-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4,6-Dichloronicotinic acid
CAS Number73027-79-9
PubChem CID817158
IUPAC Name4,6-dichloropyridine-3-carboxylic acid
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00
XLogP2
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=C(C(=CN=C1Cl)C(=O)O)Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
InChIKey
ILMIEWNDXAKVNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dichloronicotinic acid
CAS: 73027-79-9
CID: 817158
Formula: C6H3Cl2NO2
MW: 192.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.00
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.9540837
Monoisotopic Mass190.9540837
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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