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189253-93-8 | Acetic acid, 2-[(3,5-dibromophenyl)thio]-, methyl ester
CAS No: 189253-93-8 Catalog No: AG002I4W MDL No:
Product Description
Catalog Number:
AG002I4W
Chemical Name:
Acetic acid, 2-[(3,5-dibromophenyl)thio]-, methyl ester
CAS Number:
189253-93-8
Molecular Formula:
C9H8Br2O2S
Molecular Weight:
340.0316
IUPAC Name:
methyl 2-(3,5-dibromophenyl)sulfanylacetate
InChI:
InChI=1S/C9H8Br2O2S/c1-13-9(12)5-14-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3
InChI Key:
KDFMUJUDPCIFOH-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cc(Br)cc(c1)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.859g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.029g/mol
Monoisotopic Mass:
337.861g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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