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126070-80-2 | Benzaldehyde, 3-methoxy-4-[(methylsulfonyl)oxy]-2-nitro-
CAS No: 126070-80-2 Catalog No: AG000R39 MDL No:
Product Description
Catalog Number:
AG000R39
Chemical Name:
Benzaldehyde, 3-methoxy-4-[(methylsulfonyl)oxy]-2-nitro-
CAS Number:
126070-80-2
Molecular Formula:
C9H9NO7S
Molecular Weight:
275.2353
IUPAC Name:
(4-formyl-2-methoxy-3-nitrophenyl) methanesulfonate
InChI:
InChI=1S/C9H9NO7S/c1-16-9-7(17-18(2,14)15)4-3-6(5-11)8(9)10(12)13/h3-5H,1-2H3
InChI Key:
ODRZPIPRQPOGNW-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1[N+](=O)[O-])C=O)OS(=O)(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.231g/mol
Monoisotopic Mass:
275.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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