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2093-26-7 | Phenol, 2-bromo-4-methyl-, 1-benzenesulfonate
CAS No: 2093-26-7 Catalog No: AG002K6I MDL No:
Product Description
Catalog Number:
AG002K6I
Chemical Name:
Phenol, 2-bromo-4-methyl-, 1-benzenesulfonate
CAS Number:
2093-26-7
Molecular Formula:
C13H11BrO3S
Molecular Weight:
327.1936
IUPAC Name:
(2-bromo-4-methylphenyl) benzenesulfonate
InChI:
InChI=1S/C13H11BrO3S/c1-10-7-8-13(12(14)9-10)17-18(15,16)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
IMOWFUUXOOPBQQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)OS(=O)(=O)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.961g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.192g/mol
Monoisotopic Mass:
325.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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