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116325-17-8 | 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CAS No: 116325-17-8 Catalog No: AG000C7J MDL No:MFCD03305948
Product Description
Catalog Number:
AG000C7J
Chemical Name:
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CAS Number:
116325-17-8
Molecular Formula:
C16H13NO4S
Molecular Weight:
315.3437
MDL Number:
MFCD03305948
IUPAC Name:
methyl 1-(benzenesulfonyl)indole-3-carboxylate
InChI:
InChI=1S/C16H13NO4S/c1-21-16(18)14-11-17(15-10-6-5-9-13(14)15)22(19,20)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
UAGHFCKWEMUQTN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.343g/mol
Monoisotopic Mass:
315.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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