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Home > Nitro Compounds > 556020-33-8
556020-33-8 | N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzene-1-sulfonamide
CAS No: 556020-33-8 Catalog No: AG019IGG MDL No:MFCD04612894
Product Description
Catalog Number:
AG019IGG
Chemical Name:
N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzene-1-sulfonamide
CAS Number:
556020-33-8
Molecular Formula:
C18H20N2O7S
Molecular Weight:
408.4256
MDL Number:
MFCD04612894
IUPAC Name:
N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C18H20N2O7S/c1-4-19(5-2)28(24,25)14-7-9-16(15(11-14)20(22)23)27-17-8-6-13(12-21)10-18(17)26-3/h6-12H,4-5H2,1-3H3
InChI Key:
WHTZJSQDGLZZJQ-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccc(cc1OC)C=O)CC
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.425g/mol
Monoisotopic Mass:
408.099g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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