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Chlorotoluron

CAT: 0926-FC20400-03Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FC20400-03Size:10 g
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CAS Number
15545-48-9
Synonyms
Chlorotoluron; 1,1-Dimethyl-3- (3-chloro-4-methylbenzene) urea; Lentipur (R)
MDL Number
MFCD00018275
Smiles
CC1=C (C=C (C=C1) NC (=O) N (C) C) Cl
Molecular Formula
C10H13ClN2O
Molecular Weight
212.68 g/mol
Shipping Conditions
Dry Ice
Controlled
No

Chemical Information

Chlortoluron

Chlorotoluron is a member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a member of phenylureas and a member of monochlorobenzenes.

CAS Number15545-48-9
PubChem CID27375
IUPAC Name3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
Molecular FormulaC10H13ClN2O
Molecular Weight212.67
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
CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
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)
InChIKey
JXCGFZXSOMJFOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlortoluron
CAS: 15545-48-9
CID: 27375
Formula: C10H13ClN2O
MW: 212.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.67
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass212.0716407
Monoisotopic Mass212.0716407
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity208
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
MBS6075240-01Chlorotoluron-d6
CS-T-12684Chlorotoluron
444435-01Chlorotoluron-13C6
HY-B2023R-01Chlorotoluron (Standard)
S-3947Chlorotoluron - 1ML
TMIJ-0476-01Chlorotoluron-d6 (N, N-dimethyl-d6)

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