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Home > Nitro Compounds > 321433-88-9
321433-88-9 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methoxyaniline
CAS No: 321433-88-9 Catalog No: AG00IQX7 MDL No:MFCD00214847
Product Description
Catalog Number:
AG00IQX7
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methoxyaniline
CAS Number:
321433-88-9
Molecular Formula:
C15H14N2O5S
Molecular Weight:
334.3471
MDL Number:
MFCD00214847
IUPAC Name:
N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-methoxyaniline
InChI:
InChI=1S/C15H14N2O5S/c1-22-13-9-7-12(8-10-13)16-11-15(17(18)19)23(20,21)14-5-3-2-4-6-14/h2-11,16H,1H3
InChI Key:
RNPZLBVYTMWNMV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N/C=C(/S(=O)(=O)c1ccccc1)\[N+](=O)[O-]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.346g/mol
Monoisotopic Mass:
334.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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