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10271-81-5 | Benzenemethanesulfonic acid, phenyl ester
CAS No: 10271-81-5 Catalog No: AG00086Z MDL No:
Product Description
Catalog Number:
AG00086Z
Chemical Name:
Benzenemethanesulfonic acid, phenyl ester
CAS Number:
10271-81-5
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
IUPAC Name:
phenyl phenylmethanesulfonate
InChI:
InChI=1S/C13H12O3S/c14-17(15,11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
DTVYDCGCCHOJMQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(Oc1ccccc1)Cc1ccccc1
NSC Number:
254053
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Analogues of 2-phenyl-ethenesulfonic acid phenyl ester have dual functions of inhibiting expression of inducible nitric oxide synthase and activating peroxisome proliferator-activated receptor gamma. | Bioorganic & medicinal chemistry letters 20081015 |
| 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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