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88258-78-0 | Urea, N-(3,4-dichlorophenyl)-N'-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS No: 88258-78-0 Catalog No: AG004APT MDL No:
Product Description
Catalog Number:
AG004APT
Chemical Name:
Urea, N-(3,4-dichlorophenyl)-N'-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS Number:
88258-78-0
Molecular Formula:
C12H12Cl2N2O2S
Molecular Weight:
319.2069
IUPAC Name:
1-(3,4-dichlorophenyl)-3-(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)urea
InChI:
InChI=1S/C12H12Cl2N2O2S/c1-7-11(19-5-4-18-7)16-12(17)15-8-2-3-9(13)10(14)6-8/h2-3,6H,4-5H2,1H3,(H2,15,16,17)
InChI Key:
OKZDMTLOCKKWSF-UHFFFAOYSA-N
SMILES:
O=C(NC1=C(C)OCCS1)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.2g/mol
Monoisotopic Mass:
318g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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