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Home > Nitro Compounds > 321433-90-3
321433-90-3 | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-2,3-dimethylaniline
CAS No: 321433-90-3 Catalog No: AG00IOCX MDL No:MFCD00214848
Product Description
Catalog Number:
AG00IOCX
Chemical Name:
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-2,3-dimethylaniline
CAS Number:
321433-90-3
Molecular Formula:
C16H16N2O4S
Molecular Weight:
332.3742
MDL Number:
MFCD00214848
IUPAC Name:
N-[2-(benzenesulfonyl)-2-nitroethenyl]-2,3-dimethylaniline
InChI:
InChI=1S/C16H16N2O4S/c1-12-7-6-10-15(13(12)2)17-11-16(18(19)20)23(21,22)14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChI Key:
CTDPEMWLBIKSNI-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1C)N/C=C(/S(=O)(=O)c1ccccc1)\[N+](=O)[O-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.374g/mol
Monoisotopic Mass:
332.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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