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Pentoxazone

CAT: 1596-AR-P30766-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30766-03Size:50 Units
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CAS Number
110956-75-7
Molecular Formula
C17H17ClFNO4
Molecular Weight
353.77
API Name
Pentoxazone

Chemical Information

Pentoxazone

Pentoxazone is an oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, an oxazolidinone, a member of monochlorobenzenes and a member of monofluorobenzenes.

CAS Number110956-75-7
PubChem CID11714234
IUPAC Name3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
Molecular FormulaC17H17ClFNO4
Molecular Weight353.8
XLogP4.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity557
SMILES
CC(=C1C(=O)N(C(=O)O1)C2=CC(=C(C=C2F)Cl)OC3CCCC3)C
InChI
InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKey
JZPKLLLUDLHCEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentoxazone
CAS: 110956-75-7
CID: 11714234
Formula: C17H17ClFNO4
MW: 353.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.8
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass353.0830139
Monoisotopic Mass353.0830139
Topological Polar Surface Area55.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity557
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
CS-ZH-16901Pentoxazone

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