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Home > Nitro Compounds > 19753-78-7
19753-78-7 | Benzenesulfonic acid, 4-(acetyloxy)-3-nitro-
CAS No: 19753-78-7 Catalog No: AG002AW1 MDL No:
Product Description
Catalog Number:
AG002AW1
Chemical Name:
Benzenesulfonic acid, 4-(acetyloxy)-3-nitro-
CAS Number:
19753-78-7
Molecular Formula:
C8H7NO7S
Molecular Weight:
261.2087
IUPAC Name:
4-acetyloxy-3-nitrobenzenesulfonic acid
InChI:
InChI=1S/C8H7NO7S/c1-5(10)16-8-3-2-6(17(13,14)15)4-7(8)9(11)12/h2-4H,1H3,(H,13,14,15)
InChI Key:
FGRWATVKCVHPMF-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.204g/mol
Monoisotopic Mass:
260.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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