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Home > Nitro Compounds > 379729-12-1
379729-12-1 | 4-formyl-2-methoxyphenyl 3-nitrobenzene-1-sulfonate
CAS No: 379729-12-1 Catalog No: AG019GTS MDL No:MFCD03152728
Product Description
Catalog Number:
AG019GTS
Chemical Name:
4-formyl-2-methoxyphenyl 3-nitrobenzene-1-sulfonate
CAS Number:
379729-12-1
Molecular Formula:
C14H11NO7S
Molecular Weight:
337.3046
MDL Number:
MFCD03152728
IUPAC Name:
(4-formyl-2-methoxyphenyl) 3-nitrobenzenesulfonate
InChI:
InChI=1S/C14H11NO7S/c1-21-14-7-10(9-16)5-6-13(14)22-23(19,20)12-4-2-3-11(8-12)15(17)18/h2-9H,1H3
InChI Key:
ROAYNTMTCGWMLF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC)OS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.302g/mol
Monoisotopic Mass:
337.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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