Benzoic acid, 2-chloro-5-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-


Chemical Name: Benzoic acid, 2-chloro-5-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-
CAS Number: 61953-08-0
Product Number: AG019GLP(AGN-PC-0KFFKT)
Synonyms:
MDL No:
Molecular Formula: C16H14ClNO4S
Molecular Weight: 351.8047

Identification/Properties


Computed Properties
Molecular Weight:
351.8g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
351.033207g/mol
Monoisotopic Mass:
351.033207g/mol
Topological Polar Surface Area:
83.1Ų
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
547
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


NMR Spectrum


Other Analytical Data


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