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MCPA

CAT: 1410-M33684-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M33684-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MCPA (Krezone) is a highly effective phenoxy herbicide. Use of MCPA would have impacts on nearby water and soil resources.
CAS Number
94-74-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
200.62
Molecular Formula
C9H9ClO3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(4-chloro-2-Methylphenoxy)acetic acid

(4-chloro-2-methylphenoxy)acetic acid is a chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2. It has a role as a synthetic auxin, a phenoxy herbicide and an environmental contaminant. It is a chlorophenoxyacetic acid and a member of monochlorobenzenes. It is a conjugate acid of a (4-chloro-2-methylphenoxy)acetate.

CAS Number94-74-6
PubChem CID7204
IUPAC Name2-(4-chloro-2-methylphenoxy)acetic acid
Molecular FormulaC9H9ClO3
Molecular Weight200.62
XLogP2.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)O
InChI
InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
WHKUVVPPKQRRBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-chloro-2-Methylphenoxy)acetic acid
CAS: 94-74-6
CID: 7204
Formula: C9H9ClO3
MW: 200.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.62
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass200.0240218
Monoisotopic Mass200.0240218
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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

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