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p-Chlonixin

CAT: 0572-TRC-C587145-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C587145-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36752-40-6
Synonyms
2-[(5-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic acid; 2-(2-Methyl-5-chloroanilino)nicotinic acid; 5-Chloroclonixin
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cc1ccc(Cl)cc1Nc2ncccc2C(=O)O
Molecular Formula
C13 H11 Cl N2 O2
Molecular Weight
262.69
InChI
InChI=1S/C13H11ClN2O2/c1-8-4-5-9(14)7-11(8)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
Additionnal Information
IUPAC name: 2-(5-chloro-2-methylanilino)pyridine-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

p-Chlonixin
CAS Number36752-40-6
PubChem CID21535505
IUPAC Name2-(5-chloro-2-methylanilino)pyridine-3-carboxylic acid
Molecular FormulaC13H11ClN2O2
Molecular Weight262.69
XLogP3.8
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CC1=C(C=C(C=C1)Cl)NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C13H11ClN2O2/c1-8-4-5-9(14)7-11(8)16-12-10(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKey
TUBJXQUGYCLPGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Chlonixin
CAS: 36752-40-6
CID: 21535505
Formula: C13H11ClN2O2
MW: 262.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.69
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass262.0509053
Monoisotopic Mass262.0509053
Topological Polar Surface Area62.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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Alternative Products

CatalogName
461811-01P-Chlonixin
461812-01P-Chlonixin-d6
444305Chlonixin-d6
444304-01Chlonixin
445921-01Dechloro Chlonixin
445922-01Dechloro Chlonixin-d7
AR-C03245-01Para-Chlonixin
HY-157093Cytidine, 5′- (P, P′, P′′, P′′-tetrahydrogen imidotriphosphate)
HY-157091Uridine, 5'- (P, P', P'', P''-tetrahydrogen imidotriphosphate)
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