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Clofenamic acid

CAT: 0013-GTR19250926-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250926-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Clofenamic acid
CAS Number
13278-36-9
Purity
98.00% (May vary between batches)
Smiles
OC (=O) c1ccccc1Nc1cccc (Cl) c1
Molecular Formula
C13H10ClNO2
Molecular Weight
247.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3-Chlorophenyl)amino)benzoic acid
CAS Number13278-36-9
PubChem CID83293
IUPAC Name2-(3-chloroanilino)benzoic acid
Molecular FormulaC13H10ClNO2
Molecular Weight247.67
XLogP5.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity272
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
OVMWPVYEBVFZHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3-Chlorophenyl)amino)benzoic acid
CAS: 13278-36-9
CID: 83293
Formula: C13H10ClNO2
MW: 247.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.67
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass247.0400063
Monoisotopic Mass247.0400063
Topological Polar Surface Area49.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity272
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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