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Phenmedipham

CAT: 1299-RG-A260541-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260541-01Size:10 mg
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CAS Number
13684-63-4
Synonyms
Phenmedipham
Molecular Formula
C16H16N2O4
Molecular Weight
300.31
Product Name Synonym
Phenmedipham

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Phenmedipham is a carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group.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

Alternative Products

CatalogName
TRC-P314600-500MGPhenmedipham
TRC-P314605-250MGPhenmedipham-ethyl
HY-B2032RPhenmedipham (Standard)
HY-B2032S-01Phenmedipham-d3
MBS1193942-01Recombinant Arthrobacter oxidans Phenmedipham hydrolase (pcd)

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