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737812-97-4 | ethyl 4-(piperazine-1-sulfonyl)benzoate
CAS No: 737812-97-4 Catalog No: AG00ICFY MDL No:MFCD03983092
Product Description
Catalog Number:
AG00ICFY
Chemical Name:
ethyl 4-(piperazine-1-sulfonyl)benzoate
CAS Number:
737812-97-4
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD03983092
IUPAC Name:
ethyl 4-piperazin-1-ylsulfonylbenzoate
InChI:
InChI=1S/C13H18N2O4S/c1-2-19-13(16)11-3-5-12(6-4-11)20(17,18)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
InChI Key:
KFTOZEVPVNVAEX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCNCC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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