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Home > Nitro Compounds > 125704-73-6
125704-73-6 | Benzene, 1-nitro-3-(2-propyn-1-ylsulfonyl)-
CAS No: 125704-73-6 Catalog No: AG000OJ3 MDL No:
Product Description
Catalog Number:
AG000OJ3
Chemical Name:
Benzene, 1-nitro-3-(2-propyn-1-ylsulfonyl)-
CAS Number:
125704-73-6
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
IUPAC Name:
1-nitro-3-prop-2-ynylsulfonylbenzene
InChI:
InChI=1S/C9H7NO4S/c1-2-6-15(13,14)9-5-3-4-8(7-9)10(11)12/h1,3-5,7H,6H2
InChI Key:
RGMZIDBAPCYJNI-UHFFFAOYSA-N
SMILES:
C#CCS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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