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Chlortoluron-d6

CAT: 1596-AR-C02560-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
1219803-48-1
Synonyms
3- (3-Chloro-4-methylphenyl) -1,1-dimethylurea-D6; N'- (3-Chloro-4-methylphenyl) -N, N- (dimethyl-d6) urea; 1,1- (Dimethyl-d6) -3- (3-chloro-4-methylphenyl) urea; 1- (3-Chloro-4-methyl) -3,3- (dimethy-d6) lurea; 3- (3-Chloro-p-tolyl) -1,1- (dimethyl-d6) urea; Dicuran-d6; Lentipur Flo-d6; Lentipur Forte-d6; N, N- (Dimethyl-d6) -N'- (3-chloro-4-methylphenyl) urea; N- (3-Chloro-4-methylphenyl) -N', N'- (dimethyl-d6) urea; Syncuran-d6; Tolurex-d6
Molecular Formula
C10H7D6ClN2O
Molecular Weight
218.71
API Name
Chlortoluron

Chemical Information

Chlorotoluron-d6
CAS Number1219803-48-1
PubChem CID71314820
IUPAC Name3-(3-chloro-4-methylphenyl)-1,1-bis(trideuteriomethyl)urea
Molecular FormulaC10H13ClN2O
Molecular Weight218.71
XLogP2.4
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity208
SMILES
[2H]C([2H])([2H])N(C(=O)NC1=CC(=C(C=C1)C)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)/i2D3,3D3
InChIKey
JXCGFZXSOMJFOA-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Chlorotoluron-d6
CAS: 1219803-48-1
CID: 71314820
Formula: C10H13ClN2O
MW: 218.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.71
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass218.1093012
Monoisotopic Mass218.1093012
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity208
Isotope Atom Count6
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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