Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-


Chemical Name: Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-
CAS Number: 22361-64-4
Product Number: AG007OOZ(AGN-PC-0JW4XW)
Synonyms:
MDL No:
Molecular Formula: C11H14BrNO4S
Molecular Weight: 336.2022

Identification/Properties


Computed Properties
Molecular Weight:
336.2g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
334.983g/mol
Monoisotopic Mass:
334.983g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
388
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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