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Benzovindiflupyr

CAT: 0572-TRC-B206965-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B206965-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1072957-71-1
Synonyms
N-[9-(Dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide; Benzovindiflupyr; N-[9-(Dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazol-4-carboxamide; Solatenol
Hazard Statement
Toxic if swallowed; UN number: UN2588; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F
Molecular Formula
C18 H15 Cl2 F2 N3 O
Molecular Weight
398.234
InChI
InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)
Additionnal Information
IUPAC name: N-[11-(dichloromethylene)-3-tricyclo[6.2.1.0^{2,7}]undeca-2,4,6-trienyl]-3-(difluoromethyl)-1-methyl-pyrazole-4-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzovindiflupyr

broad-spectrum fungicide; structure in first source

CAS Number1072957-71-1
PubChem CID51347655
IUPAC NameN-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
Molecular FormulaC18H15Cl2F2N3O
Molecular Weight398.2
XLogP4
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity613
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC3=C2[C@@H]4CC[C@H]3C4=C(Cl)Cl
InChI
InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)/t9-,10+/m1/s1
InChIKey
CCCGEKHKTPTUHJ-ZJUUUORDSA-N
Chemical Structure
2D Structure
2D structure of Benzovindiflupyr
CAS: 1072957-71-1
CID: 51347655
Formula: C18H15Cl2F2N3O
MW: 398.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass397.0560238
Monoisotopic Mass397.0560238
Topological Polar Surface Area46.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T36822-01Benzovindiflupyr
AR-B06815-01Benzovindiflupyr-15N2-13C-d3

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