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18099-15-5 | Ethanone, 1-(4-bromophenyl)-2-mercapto-
CAS No: 18099-15-5 Catalog No: AG0022J3 MDL No:
Product Description
Catalog Number:
AG0022J3
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-mercapto-
CAS Number:
18099-15-5
Molecular Formula:
C8H7BrOS
Molecular Weight:
231.1096
IUPAC Name:
1-(4-bromophenyl)-2-sulfanylethanone
InChI:
InChI=1S/C8H7BrOS/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,11H,5H2
InChI Key:
SSJRAUUZYUCFPO-UHFFFAOYSA-N
SMILES:
SCC(=O)c1ccc(cc1)Br
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.107g/mol
Monoisotopic Mass:
229.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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