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Home > Nitro Compounds > 1146-39-0
1146-39-0 | Benzene, 1-nitro-4-(phenylsulfonyl)-
CAS No: 1146-39-0 Catalog No: AG000ES3 MDL No:MFCD00043616
Product Description
Catalog Number:
AG000ES3
Chemical Name:
Benzene, 1-nitro-4-(phenylsulfonyl)-
CAS Number:
1146-39-0
Molecular Formula:
C12H9NO4S
Molecular Weight:
263.2692
MDL Number:
MFCD00043616
IUPAC Name:
1-(benzenesulfonyl)-4-nitrobenzene
InChI:
InChI=1S/C12H9NO4S/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H
InChI Key:
OECHJYYZMSUILG-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
87340
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.025g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.267g/mol
Monoisotopic Mass:
263.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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