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Home > Nitro Compounds > 692261-49-7
692261-49-7 | 4-formyl-2-methoxyphenyl 4-methyl-3-nitrobenzene-1-sulfonate
CAS No: 692261-49-7 Catalog No: AG019GU7 MDL No:MFCD03653094
Product Description
Catalog Number:
AG019GU7
Chemical Name:
4-formyl-2-methoxyphenyl 4-methyl-3-nitrobenzene-1-sulfonate
CAS Number:
692261-49-7
Molecular Formula:
C15H13NO7S
Molecular Weight:
351.3312
MDL Number:
MFCD03653094
IUPAC Name:
(4-formyl-2-methoxyphenyl) 4-methyl-3-nitrobenzenesulfonate
InChI:
InChI=1S/C15H13NO7S/c1-10-3-5-12(8-13(10)16(18)19)24(20,21)23-14-6-4-11(9-17)7-15(14)22-2/h3-9H,1-2H3
InChI Key:
WKOKKJIBICKLCD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.041g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.329g/mol
Monoisotopic Mass:
351.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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