Benodanil

CAT: 0931-T3601-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T3601-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

15310-01-7

Target

Antifungal

Related Pathways

Microbiology/Virology

Purity

>99.99%

Bioactivity

Benodanil (Calirus) is a kind of fungicide.

Smiles

IC1=C(C=CC=C1)C(=O)NC1=CC=CC=C1

Molecular Formula

C13H10INO

Molecular Weight

323.13

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Benodanil

Benodanil is a member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of aniline. An obsolete fungicide once used mainly to control rust diseases. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an anilide, a member of benzamides, an organoiodine compound and a benzanilide fungicide.

CAS Number	15310-01-7
PubChem CID	27195
IUPAC Name	2-iodo-N-phenylbenzamide
Molecular Formula	C13H10INO
Molecular Weight	323.13
XLogP	2.8
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)

InChIKey

LJOZMWRYMKECFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15310-01-7

CID: 27195

Formula: C13H10INO

MW: 323.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	323.13
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	322.98071
Monoisotopic Mass	322.98071
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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

Alternative Products

Catalog	Name
HY-108422-01	Benodanil
442242-01	Benodanil discontinued
HY-108422R	Benodanil (Standard)

Benodanil

Chemical Information

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