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Home > Nitro Compounds > 197251-71-1
197251-71-1 | Propanedial, 2-[4-(methylsulfonyl)-2-nitrophenyl]-
CAS No: 197251-71-1 Catalog No: AG002APB MDL No:MFCD00216509
Product Description
Catalog Number:
AG002APB
Chemical Name:
Propanedial, 2-[4-(methylsulfonyl)-2-nitrophenyl]-
CAS Number:
197251-71-1
Molecular Formula:
C10H9NO6S
Molecular Weight:
271.2466
MDL Number:
MFCD00216509
IUPAC Name:
2-(4-methylsulfonyl-2-nitrophenyl)propanedial
InChI:
InChI=1S/C10H9NO6S/c1-18(16,17)8-2-3-9(7(5-12)6-13)10(4-8)11(14)15/h2-7H,1H3
InChI Key:
DEDOAYHMNVGYGD-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C)C=O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.243g/mol
Monoisotopic Mass:
271.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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