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Pencycuron

CAT: 0127-BUP13458-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13458-04Size:50 mg
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CAS Number
66063-05-6
Synonyms
Monceren
Purity
=98%
Smiles
N(CC1=CC=C(Cl)C=C1)(C(NC2=CC=CC=C2)=O)C3CCCC3

Chemical Information

Pencycuron

Pencycuron is a member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. It has a role as an antifungal agrochemical. It is a member of phenylureas and a member of monochlorobenzenes. It is functionally related to an aniline.

CAS Number66063-05-6
PubChem CID91692
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
Molecular FormulaC19H21ClN2O
Molecular Weight328.8
XLogP4.8
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity370
SMILES
C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKey
OGYFATSSENRIKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pencycuron
CAS: 66063-05-6
CID: 91692
Formula: C19H21ClN2O
MW: 328.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.8
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass328.1342410
Monoisotopic Mass328.1342410
Topological Polar Surface Area32.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M20981-01Pencycuron
HY-B2048SPencycuron-d5
HY-B2048RPencycuron (Standard)
P253024Pencycuron [CAS:66063-05-6] 100mg/l in Acetonitrile

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