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Home > Nitro Compounds > 1164530-75-9
1164530-75-9 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]aniline
CAS No: 1164530-75-9 Catalog No: AG00IPEN MDL No:MFCD00214899
Product Description
Catalog Number:
AG00IPEN
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]aniline
CAS Number:
1164530-75-9
Molecular Formula:
C14H12N2O4S
Molecular Weight:
304.3211
MDL Number:
MFCD00214899
IUPAC Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]aniline
InChI:
InChI=1S/C14H12N2O4S/c17-16(18)14(11-15-12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-11,15H/b14-11+
InChI Key:
TWLXXTZSFWTEKB-SDNWHVSQSA-N
SMILES:
[O-][N+](=O)/C(=C\Nc1ccccc1)/S(=O)(=O)c1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
304.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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