200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 326619-13-0
326619-13-0 | 3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid
CAS No: 326619-13-0 Catalog No: AG019GIN MDL No:MFCD02702402
Product Description
Catalog Number:
AG019GIN
Chemical Name:
3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]benzoic acid
CAS Number:
326619-13-0
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
MDL Number:
MFCD02702402
IUPAC Name:
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
InChI:
InChI=1S/C16H15NO4S/c1-11-9-12-5-2-3-8-15(12)17(11)22(20,21)14-7-4-6-13(10-14)16(18)19/h2-8,10-11H,9H2,1H3,(H,18,19)
InChI Key:
XNIBPBAYVBMMHE-UHFFFAOYSA-N
SMILES:
CC1Cc2c(N1S(=O)(=O)c1cccc(c1)C(=O)O)cccc2
Properties
Complexity:
527
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.