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Home > Nitro Compounds > 23139-00-6
23139-00-6 | Urea, N-methyl-N'-(4-methylphenyl)-N-nitroso-
CAS No: 23139-00-6 Catalog No: AG002MAZ MDL No:
Product Description
Catalog Number:
AG002MAZ
Chemical Name:
Urea, N-methyl-N'-(4-methylphenyl)-N-nitroso-
CAS Number:
23139-00-6
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
1-methyl-3-(4-methylphenyl)-1-nitrosourea
InChI:
InChI=1S/C9H11N3O2/c1-7-3-5-8(6-4-7)10-9(13)12(2)11-14/h3-6H,1-2H3,(H,10,13)
InChI Key:
LROYCOOKXXUFRY-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)Nc1ccc(cc1)C)C
UNII:
LI7Y3G72KK
NSC Number:
114147
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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