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89730-19-8 | Heptanoic acid, 7-bromo-7-(methylsulfonyl)-
CAS No: 89730-19-8 Catalog No: AG0041I7 MDL No:
Product Description
Catalog Number:
AG0041I7
Chemical Name:
Heptanoic acid, 7-bromo-7-(methylsulfonyl)-
CAS Number:
89730-19-8
Molecular Formula:
C8H15BrO4S
Molecular Weight:
287.1713
IUPAC Name:
7-bromo-7-methylsulfonylheptanoic acid
InChI:
InChI=1S/C8H15BrO4S/c1-14(12,13)7(9)5-3-2-4-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
RMJQIQXIPZHYGO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCC(S(=O)(=O)C)Br
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.168g/mol
Monoisotopic Mass:
285.987g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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