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Fenoxaprop-P

CAT: 0024-sc-223988Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-223988Size:100 mg
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CAS Number
113158-40-0

Chemical Information

Fenoxaprop P
CAS Number113158-40-0
PubChem CID11949285
IUPAC Name(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
Molecular FormulaC16H12ClNO5
Molecular Weight333.72
XLogP3.4
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity415
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKey
MPPOHAUSNPTFAJ-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Fenoxaprop P
CAS: 113158-40-0
CID: 11949285
Formula: C16H12ClNO5
MW: 333.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.72
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass333.0404002
Monoisotopic Mass333.0404002
Topological Polar Surface Area81.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-F248890-250MGFenoxaprop-P
HY-B2013-01Fenoxaprop-P-ethyl
449999-01Fenoxaprop P-Ethyl
445924-01Dechloro Fenoxaprop P
446288-01Desethylpropionate Fenoxaprop P
TRC-D226520-2.5GDechloro Fenoxaprop P-Ethyl
HY-B2013R-01Fenoxaprop-P-ethyl (Standard)
TRC-F248893-10MGFenoxaprop
464389-01Rac-Fenoxaprop P-Ethyl-2-ethylformate
TRC-C427680-100MG2-Chloro-rac-fenoxaprop P-Ethyl

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