Benlate

CAT: 0459-021335-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0459-021335-04Size:25 g

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CAS Number

17804-35-2

Chemical Information

Benomyl

Benomyl can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number	17804-35-2
PubChem CID	28780
IUPAC Name	methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate
Molecular Formula	C14H18N4O3
Molecular Weight	290.32
XLogP	2.1
Topological Polar Surface Area	85.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	377

SMILES

CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC

InChI

InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)

InChIKey

RIOXQFHNBCKOKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17804-35-2

CID: 28780

Formula: C14H18N4O3

MW: 290.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.32
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	290.13789045
Monoisotopic Mass	290.13789045
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	377
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

Catalog	Name
009405-01	Ammonium Benzoate
195215-01	Potassium Benzoate for Synthesis
028321-01	Ethyl Benzoate 99.0%
010455	N-Amyl Benzoate for Synthesis
033605	Butyl- p-Hydroxy Benzoate
027357-01	Benzyl Benzoate pure, 99%
156580-01	Methyl-m -Hydroxy-Benzoate for Synthesis
029214	Methyl Benzoate for Synthesis 99.0%
641425-01	Sodium Benzoate AR 99.5%
187865-01	Phenyl Benzoate for Synthesis 99.0%