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Chloramben-sodium

CAT: 0013-GTR19195091Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195091Size:25 mg
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Description
Chloramben-sodium is a synthetic auxin herbicide used in agricultural research. It serves as a tool compound for studying plant growth regulation and herbicide mechanisms in both in vitro enzymatic assays and in vivo plant physiology experiments.
CAS Number
1954-81-0
Smiles
[Na].Nc1cc (Cl) cc (C (O) =O) c1Cl
Molecular Formula
C7H4Cl2NNaO2
Molecular Weight
228.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-amino-2,5-dichlorobenzoic acid sodium salt
CAS Number1954-81-0
PubChem CID23669615
IUPAC Namesodium 3-amino-2,5-dichlorobenzoate
Molecular FormulaC7H4Cl2NNaO2
Molecular Weight228.00
Topological Polar Surface Area66.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=C(C=C(C(=C1C(=O)[O-])Cl)N)Cl.[Na+]
InChI
InChI=1S/C7H5Cl2NO2.Na/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);/q;+1/p-1
InChIKey
WMWBBXKLYSGKDY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3-amino-2,5-dichlorobenzoic acid sodium salt
CAS: 1954-81-0
CID: 23669615
Formula: C7H4Cl2NNaO2
MW: 228.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.00
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass226.9516780
Monoisotopic Mass226.9516780
Topological Polar Surface Area66.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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