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20951-43-3 | Phenol, 2-bromo-4-(methylsulfonyl)-
CAS No: 20951-43-3 Catalog No: AG002KAC MDL No:MFCD09038162
Product Description
Catalog Number:
AG002KAC
Chemical Name:
Phenol, 2-bromo-4-(methylsulfonyl)-
CAS Number:
20951-43-3
Molecular Formula:
C7H7BrO3S
Molecular Weight:
251.0977
MDL Number:
MFCD09038162
IUPAC Name:
2-bromo-4-methylsulfonylphenol
InChI:
InChI=1S/C7H7BrO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChI Key:
MOQJJCKZSLMZOB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Br)S(=O)(=O)C
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:
1.8
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