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139778-27-1 | Benzenesulfonic acid, 2-iodo-5-methyl-
CAS No: 139778-27-1 Catalog No: AG001BP7 MDL No:MFCD21337358
Product Description
Catalog Number:
AG001BP7
Chemical Name:
Benzenesulfonic acid, 2-iodo-5-methyl-
CAS Number:
139778-27-1
Molecular Formula:
C7H7IO3S
Molecular Weight:
298.0982
MDL Number:
MFCD21337358
IUPAC Name:
2-iodo-5-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H7IO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3,(H,9,10,11)
InChI Key:
POSSTIHHKTXBTM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)O)I
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.916g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.094g/mol
Monoisotopic Mass:
297.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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