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Cloxyfonac

CAT: 0931-T19242-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T19242-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6386-63-6
Target
Others
Related Pathways
Others
Bioactivity
Cloxyfonac [ISO] is a plant growth regulator and pesticide agent.
Smiles
OCc1cc(Cl)ccc1OCC(O)=O
Molecular Formula
C9H9ClO4
Molecular Weight
216.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cloxyfonac
CAS Number6386-63-6
PubChem CID22883
IUPAC Name2-[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid
Molecular FormulaC9H9ClO4
Molecular Weight216.62
XLogP1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity197
SMILES
C1=CC(=C(C=C1Cl)CO)OCC(=O)O
InChI
InChI=1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
InChIKey
ZJRUTGDCLVIVRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cloxyfonac
CAS: 6386-63-6
CID: 22883
Formula: C9H9ClO4
MW: 216.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.62
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass216.0189365
Monoisotopic Mass216.0189365
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity197
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