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Home > Nitro Compounds > 87533-55-9
87533-55-9 | Ethanone, 1,1'-(4-nitro-1,3-phenylene)bis-
CAS No: 87533-55-9 Catalog No: AG004F61 MDL No:
Product Description
Catalog Number:
AG004F61
Chemical Name:
Ethanone, 1,1'-(4-nitro-1,3-phenylene)bis-
CAS Number:
87533-55-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
1-(3-acetyl-4-nitrophenyl)ethanone
InChI:
InChI=1S/C10H9NO4/c1-6(12)8-3-4-10(11(14)15)9(5-8)7(2)13/h3-5H,1-2H3
InChI Key:
FDMJVWUNTYCWJB-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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