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Home > Nitro Compounds > 89135-92-2
89135-92-2 | Urea, N-methyl-N-[2-methyl-1-(methylthio)propyl]-N'-(4-nitrophenyl)-
CAS No: 89135-92-2 Catalog No: AG003XNA MDL No:
Product Description
Catalog Number:
AG003XNA
Chemical Name:
Urea, N-methyl-N-[2-methyl-1-(methylthio)propyl]-N'-(4-nitrophenyl)-
CAS Number:
89135-92-2
Molecular Formula:
C13H19N3O3S
Molecular Weight:
297.3733
IUPAC Name:
1-methyl-1-(2-methyl-1-methylsulfanylpropyl)-3-(4-nitrophenyl)urea
InChI:
InChI=1S/C13H19N3O3S/c1-9(2)12(20-4)15(3)13(17)14-10-5-7-11(8-6-10)16(18)19/h5-9,12H,1-4H3,(H,14,17)
InChI Key:
GSWGGZGAPOUFFO-UHFFFAOYSA-N
SMILES:
CSC(N(C(=O)Nc1ccc(cc1)[N+](=O)[O-])C)C(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.373g/mol
Monoisotopic Mass:
297.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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