Mefenpyr-diethyl

CAT: 0024-sc-228447Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-228447Size:100 mg

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CAS Number

135590-91-9

Chemical Information

Mefenpyr-diethyl

CAS Number	135590-91-9
PubChem CID	10937610
IUPAC Name	diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
Molecular Formula	C16H18Cl2N2O4
Molecular Weight	373.2
XLogP	3.9
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	528

SMILES

CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3

InChIKey

OPGCOAPTHCZZIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 135590-91-9

CID: 10937610

Formula: C16H18Cl2N2O4

MW: 373.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	373.2
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	372.0643624
Monoisotopic Mass	372.0643624
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-239742	Diethyl vinylphosphonate
sc-239738	Diethyl phthalate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate
sc-357334	Diethyl cromoglycate
sc-234670	Diethyl suberate
sc-268908	Diethyl phenylphosphonate

Catalog	Name
CS-T-81223	Mefenpyr-diethyl
HY-136376R-01	Mefenpyr-diethyl (Standard)
AR-M04116-01	Mefenpyr-Diethyl Impurity 1
TRC-M205601-100MG	Mefenpyr
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
C6538-500	Diethyl fumarate
BA8017-25	Diethyl-pythiDC