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Crufomate

CAT: 0013-GTR19202086-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202086-01Size:25 mg
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Description
Crufomate is an organophosphate insecticide employed in veterinary research for controlling ectoparasites like hornflies, cattle grubs, and lice. Its application extends to in vivo studies on livestock and in vitro investigations into acetylcholinesterase inhibition, supporting research in parasitology and veterinary pharmacology.
CAS Number
299-86-5
Smiles
O=P (OC1=CC=C (C=C1Cl) C (C) (C) C) (OC) NC
Molecular Formula
C12H19ClNO3P
Molecular Weight
291.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Crufomate

Crufomate is an alkylbenzene.

CAS Number299-86-5
PubChem CID9300
IUPAC NameN-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
Molecular FormulaC12H19ClNO3P
Molecular Weight291.71
XLogP3.4
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity319
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
InChI
InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
InChIKey
BOFHKBLZOYVHSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Crufomate
CAS: 299-86-5
CID: 9300
Formula: C12H19ClNO3P
MW: 291.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.71
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass291.0791082
Monoisotopic Mass291.0791082
Topological Polar Surface Area47.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T20772-01Crufomate

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