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29122-98-3 | Acetic acid, 2-(2,1,3-benzothiadiazol-5-yloxy)-, ethyl ester
CAS No: 29122-98-3 Catalog No: AG002XEX MDL No:
Product Description
Catalog Number:
AG002XEX
Chemical Name:
Acetic acid, 2-(2,1,3-benzothiadiazol-5-yloxy)-, ethyl ester
CAS Number:
29122-98-3
Molecular Formula:
C10H10N2O3S
Molecular Weight:
238.2630
IUPAC Name:
ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate
InChI:
InChI=1S/C10H10N2O3S/c1-2-14-10(13)6-15-7-3-4-8-9(5-7)12-16-11-8/h3-5H,2,6H2,1H3
InChI Key:
ARPTWHNULXIGDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc2c(c1)nsn2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.261g/mol
Monoisotopic Mass:
238.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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