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Home > Nitro Compounds > 832118-05-5
832118-05-5 | Aziridine, 2-(4-methoxyphenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS No: 832118-05-5 Catalog No: AG004ZCG MDL No:
Product Description
Catalog Number:
AG004ZCG
Chemical Name:
Aziridine, 2-(4-methoxyphenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS Number:
832118-05-5
Molecular Formula:
C15H14N2O5S
Molecular Weight:
334.3471
IUPAC Name:
(2S)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylaziridine
InChI:
InChI=1S/C15H14N2O5S/c1-22-13-6-2-11(3-7-13)15-10-16(15)23(20,21)14-8-4-12(5-9-14)17(18)19/h2-9,15H,10H2,1H3/t15-,16?/m1/s1
InChI Key:
BZKDSGGKSQUUJM-AAFJCEBUSA-N
SMILES:
COc1ccc(cc1)[C@H]1CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
334.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.346g/mol
Monoisotopic Mass:
334.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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