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Home > Nitro Compounds > 321433-80-1
321433-80-1 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methylaniline
CAS No: 321433-80-1 Catalog No: AG00IOCV MDL No:MFCD00214842
Product Description
Catalog Number:
AG00IOCV
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-4-methylaniline
CAS Number:
321433-80-1
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
MDL Number:
MFCD00214842
IUPAC Name:
N-[2-(benzenesulfonyl)-2-nitroethenyl]-4-methylaniline
InChI:
InChI=1S/C15H14N2O4S/c1-12-7-9-13(10-8-12)16-11-15(17(18)19)22(20,21)14-5-3-2-4-6-14/h2-11,16H,1H3
InChI Key:
XKAGUMKDANOVQP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N/C=C(/S(=O)(=O)c1ccccc1)\[N+](=O)[O-]
Properties
Complexity:
505
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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