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111875-14-0 | 2-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
CAS No: 111875-14-0 Catalog No: AG01ECT9 MDL No:
Product Description
Catalog Number:
AG01ECT9
Chemical Name:
2-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
CAS Number:
111875-14-0
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
InChI:
InChI=1S/C16H15NO4S/c18-16(19)14-7-3-4-8-15(14)22(20,21)17-10-9-12-5-1-2-6-13(12)11-17/h1-8H,9-11H2,(H,18,19)
InChI Key:
PVFLVIJFUKIIMM-UHFFFAOYSA-N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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