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Mecoprop-P

CAT: 1596-AR-M03975-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03975-02Size:25 Units
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CAS Number
16484-77-8
Molecular Formula
C10H11ClO3
Molecular Weight
214.65
API Name
Mecoprop

Chemical Information

Mecoprop-P

(R)-mecoprop is the (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop. It has a role as a phenoxy herbicide. It is a conjugate acid of a (R)-2-(4-chloro-2-methylphenoxy)propanoate. It is an enantiomer of a (S)-mecoprop.

CAS Number16484-77-8
PubChem CID185588
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid
Molecular FormulaC10H11ClO3
Molecular Weight214.64
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity208
SMILES
CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKey
WNTGYJSOUMFZEP-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of Mecoprop-P
CAS: 16484-77-8
CID: 185588
Formula: C10H11ClO3
MW: 214.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.64
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.0396719
Monoisotopic Mass214.0396719
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity208
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