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88258-77-9 | Urea, N-(4-chlorophenyl)-N'-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS No: 88258-77-9 Catalog No: AG004APU MDL No:
Product Description
Catalog Number:
AG004APU
Chemical Name:
Urea, N-(4-chlorophenyl)-N'-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS Number:
88258-77-9
Molecular Formula:
C12H13ClN2O2S
Molecular Weight:
284.7618
IUPAC Name:
1-(4-chlorophenyl)-3-(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)urea
InChI:
InChI=1S/C12H13ClN2O2S/c1-8-11(18-7-6-17-8)15-12(16)14-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H2,14,15,16)
InChI Key:
QYFGNMVQLYYZCG-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)NC1=C(C)OCCS1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.758g/mol
Monoisotopic Mass:
284.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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