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Home > Nitro Compounds > 832118-04-4
832118-04-4 | Aziridine, 2-methyl-1-[(4-nitrophenyl)sulfonyl]-3-phenyl-, (3S)-
CAS No: 832118-04-4 Catalog No: AG004UMS MDL No:
Product Description
Catalog Number:
AG004UMS
Chemical Name:
Aziridine, 2-methyl-1-[(4-nitrophenyl)sulfonyl]-3-phenyl-, (3S)-
CAS Number:
832118-04-4
Molecular Formula:
C15H14N2O4S
Molecular Weight:
318.3477
IUPAC Name:
(3S)-2-methyl-1-(4-nitrophenyl)sulfonyl-3-phenylaziridine
InChI:
InChI=1S/C15H14N2O4S/c1-11-15(12-5-3-2-4-6-12)16(11)22(20,21)14-9-7-13(8-10-14)17(18)19/h2-11,15H,1H3/t11?,15-,16?/m1/s1
InChI Key:
MFZTTWFHLYNZDG-YWCUFVOSSA-N
SMILES:
CC1[C@@H](N1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
511
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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