2-bromo-5-(prop-2-yne-1-sulfonyl)benzoic acid


Chemical Name: 2-bromo-5-(prop-2-yne-1-sulfonyl)benzoic acid
CAS Number: 1152496-73-5
Product Number: AG01DTBR(AG01DTBR)
Synonyms:
MDL No:
Molecular Formula: C10H7BrO4S
Molecular Weight: 303.1292

Identification/Properties


Computed Properties
Molecular Weight:
303.126g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
301.925g/mol
Monoisotopic Mass:
301.925g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
414
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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