Iprodione-d5

CAT: 0024-sc-280845Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280845Size:1 mg

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CAS Number

1215631-57-4

Chemical Information

Iprodione-d5

CAS Number	1215631-57-4
PubChem CID	46781984
IUPAC Name	5,5-dideuterio-3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
Molecular Formula	C13H13Cl2N3O3
Molecular Weight	335.19
XLogP	3.1
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	448

SMILES

[2H]C1=C(C(=C(C(=C1Cl)[2H])Cl)[2H])N2C(=O)C(N(C2=O)C(=O)NC(C)C)([2H])[2H]

InChI

InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)/i3D,4D,5D,6D2

InChIKey

ONUFESLQCSAYKA-VVHGGLIRSA-N

Chemical Structure

2D Structure

CAS: 1215631-57-4

CID: 46781984

Formula: C13H13Cl2N3O3

MW: 335.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.19
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	334.0647804
Monoisotopic Mass	334.0647804
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	448
Isotope Atom Count	5
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

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