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Home > Nitro Compounds > 175222-94-3
175222-94-3 | 7-Azabicyclo[4.1.0]heptane, 7-[(4-nitrophenyl)sulfonyl]-
CAS No: 175222-94-3 Catalog No: AG0020Q8 MDL No:
Product Description
Catalog Number:
AG0020Q8
Chemical Name:
7-Azabicyclo[4.1.0]heptane, 7-[(4-nitrophenyl)sulfonyl]-
CAS Number:
175222-94-3
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
IUPAC Name:
7-(4-nitrophenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H14N2O4S/c15-14(16)9-5-7-10(8-6-9)19(17,18)13-11-3-1-2-4-12(11)13/h5-8,11-12H,1-4H2
InChI Key:
MLCZBZKQCWYXOE-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])N1C2C1CCCC2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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