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 Number	3813-05-6
PubChem CID	19662
IUPAC Name	2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
Molecular Formula	C9H6ClNO3S
Molecular Weight	243.67
XLogP	2.1
Topological Polar Surface Area	82.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	299

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

CAS: 3813-05-6

CID: 19662

Formula: C9H6ClNO3S

MW: 243.67

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	243.67
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	242.9756919
Monoisotopic Mass	242.9756919
Topological Polar Surface Area	82.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T3939-01	Benzoin
T71600-01	Benazoline oxalate salt
T20409-01	Benzoin oxime
T7925-01	Methyl benzoin

Alternative Products

Catalog	Name
CS-EJ-0035	Benazolin
S-3956	Benazolin - 1ML
263900-01	Benazolin-ethyl ester
442221-01	Benazolin-13C2-d2

Benazolin

Chemical Information

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