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189764-42-9 | Urea, N'-methyl-N-[2-(methylsulfonyl)ethyl]-N-(phenylmethyl)-
CAS No: 189764-42-9 Catalog No: AG002DYA MDL No:
Product Description
Catalog Number:
AG002DYA
Chemical Name:
Urea, N'-methyl-N-[2-(methylsulfonyl)ethyl]-N-(phenylmethyl)-
CAS Number:
189764-42-9
Molecular Formula:
C12H18N2O3S
Molecular Weight:
270.3479
IUPAC Name:
1-benzyl-3-methyl-1-(2-methylsulfonylethyl)urea
InChI:
InChI=1S/C12H18N2O3S/c1-13-12(15)14(8-9-18(2,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChI Key:
OFLAYGGTLIHWMI-UHFFFAOYSA-N
SMILES:
CNC(=O)N(Cc1ccccc1)CCS(=O)(=O)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.347g/mol
Monoisotopic Mass:
270.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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