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Home > Nitro Compounds > 3899-90-9
3899-90-9 | 3-Nitrophenyl 4-methylbenzenesulfonate
CAS No: 3899-90-9 Catalog No: AG003U0Y MDL No:MFCD00060140
Product Description
Catalog Number:
AG003U0Y
Chemical Name:
3-Nitrophenyl 4-methylbenzenesulfonate
CAS Number:
3899-90-9
Molecular Formula:
C13H11NO5S
Molecular Weight:
293.2951
MDL Number:
MFCD00060140
IUPAC Name:
(3-nitrophenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChI Key:
QRMMIQVSVATYQP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+](=O)[O-]
NSC Number:
6905
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.293g/mol
Monoisotopic Mass:
293.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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