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Home > Nitro Compounds > 175222-84-1
175222-84-1 | Aziridine, 2-(4-methylphenyl)-1-[(4-nitrophenyl)sulfonyl]-
CAS No: 175222-84-1 Catalog No: AG0020Q9 MDL No:
Product Description
Catalog Number:
AG0020Q9
Chemical Name:
Aziridine, 2-(4-methylphenyl)-1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
175222-84-1
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
IUPAC Name:
2-(4-methylphenyl)-1-(4-nitrophenyl)sulfonylaziridine
InChI:
InChI=1S/C15H14N2O4S/c1-11-2-4-12(5-3-11)15-10-16(15)22(20,21)14-8-6-13(7-9-14)17(18)19/h2-9,15H,10H2,1H3
InChI Key:
DCFGIZZBKRBQFZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.347g/mol
Monoisotopic Mass:
318.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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