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1016860-62-0 | Isothiazolidine, 2-(4-bromo-3-methylphenyl)-, 1,1-dioxide
CAS No: 1016860-62-0 Catalog No: AG00057H MDL No:MFCD09936816
Product Description
Catalog Number:
AG00057H
Chemical Name:
Isothiazolidine, 2-(4-bromo-3-methylphenyl)-, 1,1-dioxide
CAS Number:
1016860-62-0
Molecular Formula:
C10H12BrNO2S
Molecular Weight:
290.1768
MDL Number:
MFCD09936816
IUPAC Name:
2-(4-bromo-3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H12BrNO2S/c1-8-7-9(3-4-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6H2,1H3
InChI Key:
ZVJDZMGIZMQYIC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1C)N1CCCS1(=O)=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.175g/mol
Monoisotopic Mass:
288.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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