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138328-48-0 | Benzenesulfenyl bromide, 4-hydroxy-
CAS No: 138328-48-0 Catalog No: AG0018JQ MDL No:
Product Description
Catalog Number:
AG0018JQ
Chemical Name:
Benzenesulfenyl bromide, 4-hydroxy-
CAS Number:
138328-48-0
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
IUPAC Name:
(4-hydroxyphenyl) thiohypobromite
InChI:
InChI=1S/C6H5BrOS/c7-9-6-3-1-5(8)2-4-6/h1-4,8H
InChI Key:
TXECBAGWNZMHKK-UHFFFAOYSA-N
SMILES:
BrSc1ccc(cc1)O
Properties
Complexity:
81.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.069g/mol
Monoisotopic Mass:
203.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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