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Home > Fluorides > 718604-36-5
718604-36-5 | Aziridine, 2-(4-fluorophenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS No: 718604-36-5 Catalog No: AG005FCM MDL No:
Product Description
Catalog Number:
AG005FCM
Chemical Name:
Aziridine, 2-(4-fluorophenyl)-1-[(4-nitrophenyl)sulfonyl]-, (2S)-
CAS Number:
718604-36-5
Molecular Formula:
C14H11FN2O4S
Molecular Weight:
322.3115
IUPAC Name:
(2S)-2-(4-fluorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
InChI:
InChI=1S/C14H11FN2O4S/c15-11-3-1-10(2-4-11)14-9-16(14)22(20,21)13-7-5-12(6-8-13)17(18)19/h1-8,14H,9H2/t14-,16?/m1/s1
InChI Key:
FAYBCKDVSNLQEF-IURRXHLWSA-N
SMILES:
Fc1ccc(cc1)[C@H]1CN1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.042g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.31g/mol
Monoisotopic Mass:
322.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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