Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
N-Methyl-N'-(4-chlorophenyl)-N-nitrosourea 25846-73-5 91575

Structure Other Information
Canonical SMILES CN(C(=O)NC1=CC=C(C=C1)Cl)N=O
Iso SMILES CN(C(=O)NC1=CC=C(C=C1)Cl)N=O
InChI InChI=1S/C8H8ClN3O2/c1-12(11-14)8(13)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,13)
InChI Key KWIPZMNIWNQHHZ-UHFFFAOYSA-N
Formula C8H8ClN3O2
Mol Weight 213.621
XlogP3 2.4
Charge 0

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Synonyms Information
CAS Name 3-(4-chlorophenyl)-1-methyl-1-nitrosourea
IUPAC Name 3-(4-chlorophenyl)-1-methyl-1-nitroso-urea
Openeye Name 3-(4-chlorophenyl)-1-methyl-1-nitrosourea
Systematic Name 3-(4-chlorophenyl)-1-methyl-1-nitroso-urea
Tratitional Name 3-(4-chlorophenyl)-1-methyl-1-nitroso-urea