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Penconazole-d7

CAT: 0572-TRC-P221803-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P221803-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628110-84-8
Synonyms
(±)-Penconazole-d7; CGA 71818-d7; Ofir-d7; Omnex-d7; Topas-d7
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(Cn1cncn1)c2ccc(Cl)cc2Cl
Molecular Formula
C13 D7 H8 Cl2 N3
Molecular Weight
291.23
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3/i1D3,2D2,3D2
Additionnal Information
IUPAC name: 1-[3,3,4,4,5,5,5-heptadeuterio-2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Penconazole-d7
CAS Number1628110-84-8
PubChem CID117065530
IUPAC Name1-[3,3,4,4,5,5,5-heptadeuterio-2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
Molecular FormulaC13H15Cl2N3
Molecular Weight291.22
XLogP4.4
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3/i1D3,2D2,3D2
InChIKey
WKBPZYKAUNRMKP-NCKGIQLSSA-N
Chemical Structure
2D Structure
2D structure of Penconazole-d7
CAS: 1628110-84-8
CID: 117065530
Formula: C13H15Cl2N3
MW: 291.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.22
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass290.1082401
Monoisotopic Mass290.1082401
Topological Polar Surface Area30.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-506264Penconazole-d7
CS-T-60194Penconazole
CS-T-94325Penconazole D5
165863Penconazole-d5
HY-135761R-01Penconazole (Standard)
462136Penconazole 5-Carboxylic Acid
MBS6047775-01Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
C1082Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, _x000B_ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
CS-T-103010Isocarbofos D7 (isopropyl D7)
AR-P33051-01Prostacyclin-d7 (Epoprostenol-d7)

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