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Home > Nitro Compounds > 321434-04-2
321434-04-2 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
CAS No: 321434-04-2 Catalog No: AG00IQX8 MDL No:MFCD00214852
Product Description
Catalog Number:
AG00IQX8
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
CAS Number:
321434-04-2
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
MDL Number:
MFCD00214852
IUPAC Name:
N-[2-(benzenesulfonyl)-2-nitroethenyl]-3-methylaniline
InChI:
InChI=1S/C15H14N2O4S/c1-12-6-5-7-13(10-12)16-11-15(17(18)19)22(20,21)14-8-3-2-4-9-14/h2-11,16H,1H3
InChI Key:
LXRBGEXUWUGLSS-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N/C=C(/S(=O)(=O)c1ccccc1)\[N+](=O)[O-]
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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