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Lobenzarit

CAT: 0013-GTR19202065-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202065-04Size:100 mg
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Description
Lobenzarit
CAS Number
63329-53-3
Field of Research
Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
N (C1=C (C (O) =O) C=CC (Cl) =C1) C2=C (C (O) =O) C=CC=C2
Molecular Formula
C14H10ClNO4
Molecular Weight
291.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lobenzarit

Lobenzarit is an aminobenzoic acid.

CAS Number63329-53-3
PubChem CID3946
IUPAC Name2-(2-carboxyanilino)-4-chlorobenzoic acid
Molecular FormulaC14H10ClNO4
Molecular Weight291.68
XLogP5.1
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity376
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
InChIKey
UGDPYGKWIHHBMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lobenzarit
CAS: 63329-53-3
CID: 3946
Formula: C14H10ClNO4
MW: 291.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.68
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass291.0298355
Monoisotopic Mass291.0298355
Topological Polar Surface Area86.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity376
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

Alternative Products

CatalogName
T20799-01Lobenzarit
sc-495459ALobenzarit disodium
MBS5772696Lobenzarit sodium
HY-124411R-01Lobenzarit (Standard)
HY-107360-01Lobenzarit (disodium)
GP3753-100mgLobenzarit disodium salt

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