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Home > Indoles and Oxindole > 485769-38-8
485769-38-8 | 4-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)BENZOIC ACID
CAS No: 485769-38-8 Catalog No: AG01AQ69 MDL No:MFCD02744867
Product Description
Catalog Number:
AG01AQ69
Chemical Name:
4-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)BENZOIC ACID
CAS Number:
485769-38-8
Molecular Formula:
C15H13NO4S
Molecular Weight:
303.3330
MDL Number:
MFCD02744867
IUPAC Name:
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
InChI:
InChI=1S/C15H13NO4S/c17-15(18)12-5-7-13(8-6-12)21(19,20)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10H2,(H,17,18)
InChI Key:
KEIMROLKEASOFU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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