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Diethofencarb

CAT: 0013-GTR19188028-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188028-02Size:50 mg
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Description
Diethofencarb
CAS Number
87130-20-9
Field of Research
Infectious Disease & Virology
Smiles
O (CC) C1=C (OCC) C=CC (NC (OC (C) C) =O) =C1
Molecular Formula
C14H21NO4
Molecular Weight
267.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diethofencarb

Diethofencarb is a carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp. It has a role as an antifungal agrochemical. It is a carbamate ester, an aromatic ether and a carbanilate fungicide. It is functionally related to an aniline.

CAS Number87130-20-9
PubChem CID91742
IUPAC Namepropan-2-yl N-(3,4-diethoxyphenyl)carbamate
Molecular FormulaC14H21NO4
Molecular Weight267.32
XLogP2.8
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity270
SMILES
CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
InChI
InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKey
LNJNFVJKDJYTEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethofencarb
CAS: 87130-20-9
CID: 91742
Formula: C14H21NO4
MW: 267.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.32
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass267.14705815
Monoisotopic Mass267.14705815
Topological Polar Surface Area56.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity270
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

Alternative Products

CatalogName
sc-234622Diethofencarb
HY-136384RDiethofencarb (Standard)
S-48301000ug/mL Diethofencarb in MeOH - 1ML

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