Linuron Impurity 2

CAT: 1596-AR-L07488-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07488-01Size:10 Units

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CAS Number

3567-62-2

Molecular Formula

C8H8Cl2N2O

Molecular Weight

219.07

API Name

Linuron

Chemical Information

Monomethyldiuron

Diuron-desmethyl is a member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron. It has a role as a marine xenobiotic metabolite. It is a member of phenylureas, an a 1-methyl-3-phenylurea and a dichlorobenzene.

CAS Number	3567-62-2
PubChem CID	19113
IUPAC Name	1-(3,4-dichlorophenyl)-3-methylurea
Molecular Formula	C8H8Cl2N2O
Molecular Weight	219.06
XLogP	2.9
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

CNC(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)

InChIKey

IDQHRQQSSQDLTR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3567-62-2

CID: 19113

Formula: C8H8Cl2N2O

MW: 219.06

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	219.06
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	218.0013683
Monoisotopic Mass	218.0013683
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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281251-01	Linuron
HY-B1866S-01	Linuron-d6
HY-B1866R	Linuron (Standard)
S-2350	Linuron - 1ML
sc-391566C	N-Demethoxy Linuron
T32772	Linuron-trifluralin mixt
TRC-D231122-50MG	N-Demethoxy Linuron-13C6

Linuron Impurity 2

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