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Home > Nitro Compounds > 718604-46-7
718604-46-7 | Aziridine, 2-(3-methylphenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS No: 718604-46-7 Catalog No: AG005PLI MDL No:
Product Description
Catalog Number:
AG005PLI
Chemical Name:
Aziridine, 2-(3-methylphenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS Number:
718604-46-7
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
IUPAC Name:
(2S)-2-(3-methylphenyl)-1-(4-nitrophenyl)sulfonylaziridine
InChI:
InChI=1S/C15H14N2O4S/c1-11-3-2-4-12(9-11)15-10-16(15)22(20,21)14-7-5-13(6-8-14)17(18)19/h2-9,15H,10H2,1H3/t15-,16?/m1/s1
InChI Key:
FFOHGUQIVBQEDK-AAFJCEBUSA-N
SMILES:
Cc1cccc(c1)[C@H]1CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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