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Benazolin

CAT: 0931-T30316-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30316-03Size:100 mg
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CAS Number
3813-05-6
Target
Others
Related Pathways
Others
Bioactivity
Benazolin is a synthetically produced chemical compound from the group of thiazolinones (thiazolines with a keto group) or benzothiazolinones. The colorless, crystalline solid is used predominantly as a herbicide agent.
Smiles
O=C(O)CN1C(=O)SC=2C=CC=C(Cl)C21
Molecular Formula
C9H6ClNO3S
Molecular Weight
243.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benazolin

Benazolin is a member of the class of benzothiazoles that is 4-chloro-1,3-benzothiazol-2(3H)-one which is substituted on the nitrogen by a carboxymethyl group and at position 4 by chlorine. A post-emergence herbicide used (generally as a salt or ester) for the control of annual weeds in wheat and oilseed rape. It is not approved for use with the European Union. It has a role as a herbicide and a synthetic auxin. It is a monocarboxylic acid, a member of benzothiazoles and an organochlorine pesticide. It is a conjugate acid of a benazolin(1-).

CAS Number3813-05-6
PubChem CID19662
IUPAC Name2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
Molecular FormulaC9H6ClNO3S
Molecular Weight243.67
XLogP2.1
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity299
SMILES
C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O
InChI
InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)
InChIKey
HYJSGOXICXYZGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benazolin
CAS: 3813-05-6
CID: 19662
Formula: C9H6ClNO3S
MW: 243.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.67
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass242.9756919
Monoisotopic Mass242.9756919
Topological Polar Surface Area82.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity299
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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