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139765-64-3 | 1,3-Oxathiolan-5-one, 2-amino-4-(phenylmethylene)-2-(trichloromethyl)-
CAS No: 139765-64-3 Catalog No: AG001BOK MDL No:
Product Description
Catalog Number:
AG001BOK
Chemical Name:
1,3-Oxathiolan-5-one, 2-amino-4-(phenylmethylene)-2-(trichloromethyl)-
CAS Number:
139765-64-3
Molecular Formula:
C11H8Cl3NO2S
Molecular Weight:
324.6107
IUPAC Name:
2-amino-4-benzylidene-2-(trichloromethyl)-1,3-oxathiolan-5-one
InChI:
InChI=1S/C11H8Cl3NO2S/c12-10(13,14)11(15)17-9(16)8(18-11)6-7-4-2-1-3-5-7/h1-6H,15H2
InChI Key:
LUDVCLYELIFTRY-UHFFFAOYSA-N
SMILES:
ClC(C1(N)SC(=Cc2ccccc2)C(=O)O1)(Cl)Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.934g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.6g/mol
Monoisotopic Mass:
322.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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