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293765-97-6 | Acetic acid, 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-
CAS No: 293765-97-6 Catalog No: AG002Y7H MDL No:MFCD00430864
Product Description
Catalog Number:
AG002Y7H
Chemical Name:
Acetic acid, 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-
CAS Number:
293765-97-6
Molecular Formula:
C12H10ClNO4S
Molecular Weight:
299.7301
MDL Number:
MFCD00430864
IUPAC Name:
2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
InChI:
InChI=1S/C12H10ClNO4S/c13-7-1-3-8(4-2-7)14-10(15)5-9(12(14)18)19-6-11(16)17/h1-4,9H,5-6H2,(H,16,17)
InChI Key:
VJQIELFQBSTLSN-UHFFFAOYSA-N
SMILES:
OC(=O)CSC1CC(=O)N(C1=O)c1ccc(cc1)Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.725g/mol
Monoisotopic Mass:
299.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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