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Phenmedipham

CAT: 1459-CS-T-60352Size: 1 EachDry Ice: NoHazardous: No
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Description
Phenmedipham is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-T-60352. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
13684-63-4
Synonyms
Phenmedipham
Molecular Formula
C 16 H 16 N 2 O 4
Molecular Weight
300.31
Additionnal Information
Phenmedipham is supplied with detailed characterization data compliant with regulatory guideline. Phenmedipham can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Phenmedipham

Phenmedipham is a carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group. It has a role as a herbicide, a xenobiotic and an environmental contaminant.

CAS Number13684-63-4
PubChem CID24744
IUPAC Name[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Molecular FormulaC16H16N2O4
Molecular Weight300.31
XLogP3.6
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity388
SMILES
CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC
InChI
InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKey
IDOWTHOLJBTAFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenmedipham
CAS: 13684-63-4
CID: 24744
Formula: C16H16N2O4
MW: 300.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.31
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass300.11100700
Monoisotopic Mass300.11100700
Topological Polar Surface Area76.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity388
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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