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Flamprop-methyl

CAT: 0013-GTR19202203-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202203-03Size:100 mg
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Description
Flamprop-methyl is a selective post-emergence herbicide primarily targeting wild oats (Avena fatua) . In agricultural research, it is used to study its mechanism of action, selectivity, and metabolism in both in vitro enzyme assays and in vivo plant growth experiments.
CAS Number
52756-25-9
Smiles
O=C (OC) C (N (C (=O) C=1C=CC=CC1) C2=CC=C (F) C (Cl) =C2) C
Molecular Formula
C17H15ClFNO3
Molecular Weight
335.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flamprop-methyl
CAS Number52756-25-9
PubChem CID40521
IUPAC Namemethyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
Molecular FormulaC17H15ClFNO3
Molecular Weight335.8
XLogP3.2
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity428
SMILES
CC(C(=O)OC)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
RBNIGDFIUWJJEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flamprop-methyl
CAS: 52756-25-9
CID: 40521
Formula: C17H15ClFNO3
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass335.0724492
Monoisotopic Mass335.0724492
Topological Polar Surface Area46.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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