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Chloroxuron-d6

CAT: 1596-AR-C02490-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02490-01Size:10 Units
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CAS Number
2030182-44-4
Synonyms
3- (4- (4-chlorophenoxy) phenyl) -1,1-dimethylurea-D6; Chloroxifenidim; Chlorphencarb-D6; Gesamoos-D6;3- (p- (p-Chlorophenoxy) phenyl) -1,1-dimethylurea-D6;3- (4- (4-Chlorophenoxy) phenyl) -1,1-dimethylurea-D6; N'-4- (4-Chlorophenoxy) phenyl-N, N-dimethylurea-D6; Urea, 3-[p- (p-chlorophenoxy) phenyl]-1,1-dimethyl--D6; Chloroxyfenidim
Molecular Formula
C15H9D6ClN2O2
Molecular Weight
296.78
API Name
Chloroxuron

Chemical Information

Chloroxuron-d6
CAS Number2030182-44-4
PubChem CID163322067
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-1,1-bis(trideuteriomethyl)urea
Molecular FormulaC15H15ClN2O2
Molecular Weight296.78
XLogP3.5
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity309
SMILES
[2H]C([2H])([2H])N(C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)/i1D3,2D3
InChIKey
IVUXTESCPZUGJC-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Chloroxuron-d6
CAS: 2030182-44-4
CID: 163322067
Formula: C15H15ClN2O2
MW: 296.78
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.78
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass296.1198659
Monoisotopic Mass296.1198659
Topological Polar Surface Area41.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity309
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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CatalogName
HY-143936SChloroxuron-d6
TRC-C427953-250MGChloroxuron
CS-O-59102Fruquintinib-d6 (Dimethoxy-d6)
UYB80274-01Bezafibrate-d6 (dimethyl-d6)
TMIJ-0459-01Methamidophos-d6 (dimethyl-d6)
RM-P052032-01Pentoxifylline-D6 (Dimethyl-D6)
TRC-M260801-5MGMethoxychlor-d6 (dimethoxy-d6)
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