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89303-11-7 | Benzenamine, N,N-dimethyl-4-nitro-3-[(phenylsulfonyl)methyl]-
CAS No: 89303-11-7 Catalog No: AG0040W3 MDL No:
Product Description
Catalog Number:
AG0040W3
Chemical Name:
Benzenamine, N,N-dimethyl-4-nitro-3-[(phenylsulfonyl)methyl]-
CAS Number:
89303-11-7
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
3-(benzenesulfonylmethyl)-N,N-dimethyl-4-nitroaniline
InChI:
InChI=1S/C15H16N2O4S/c1-16(2)13-8-9-15(17(18)19)12(10-13)11-22(20,21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChI Key:
KBZDZLWPNKRRQS-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)CS(=O)(=O)c1ccccc1)[N+](=O)[O-])C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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