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130570-43-3

130570-43-3 | Benzaldehyde, 3-ethoxy-6-nitro-2-[(phenylsulfonyl)oxy]-

CAS No: 130570-43-3 Catalog No: AG000UN0 MDL No:

Product Description

Catalog Number:
AG000UN0
Chemical Name:
Benzaldehyde, 3-ethoxy-6-nitro-2-[(phenylsulfonyl)oxy]-
CAS Number:
130570-43-3
Molecular Formula:
C15H13NO7S
Molecular Weight:
351.3312
IUPAC Name:
(6-ethoxy-2-formyl-3-nitrophenyl) benzenesulfonate
InChI:
InChI=1S/C15H13NO7S/c1-2-22-14-9-8-13(16(18)19)12(10-17)15(14)23-24(20,21)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChI Key:
OKOAETIGGGOLCP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1OS(=O)(=O)c1ccccc1)C=O)[N+](=O)[O-]

Properties

Complexity:
533  
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:
6  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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