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88041-67-2 | Phenol, 4-bromo-2-(methylsulfonyl)-
CAS No: 88041-67-2 Catalog No: AG004MO9 MDL No:MFCD28515417
Product Description
Catalog Number:
AG004MO9
Chemical Name:
Phenol, 4-bromo-2-(methylsulfonyl)-
CAS Number:
88041-67-2
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
MDL Number:
MFCD28515417
IUPAC Name:
4-bromo-2-methylsulfonylphenol
InChI:
InChI=1S/C7H7BrO3S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChI Key:
NUPADVWWKRDWOA-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S(=O)(=O)C)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.094g/mol
Monoisotopic Mass:
249.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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