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Home > Nitro Compounds > 80056-40-2
80056-40-2 | Aziridine, 1-[(2,4-dinitrophenyl)thio]-2-methyl-3-phenyl-, cis-
CAS No: 80056-40-2 Catalog No: AG005DI8 MDL No:
Product Description
Catalog Number:
AG005DI8
Chemical Name:
Aziridine, 1-[(2,4-dinitrophenyl)thio]-2-methyl-3-phenyl-, cis-
CAS Number:
80056-40-2
Molecular Formula:
C15H13N3O4S
Molecular Weight:
331.3464
IUPAC Name:
(2S,3R)-1-(2,4-dinitrophenyl)sulfanyl-2-methyl-3-phenylaziridine
InChI:
InChI=1S/C15H13N3O4S/c1-10-15(11-5-3-2-4-6-11)16(10)23-14-8-7-12(17(19)20)9-13(14)18(21)22/h2-10,15H,1H3/t10-,15-,16?/m0/s1
InChI Key:
DAGZOLMJHXPBRF-HVMSISMYSA-N
SMILES:
C[C@H]1[C@H](N1Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
331.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.346g/mol
Monoisotopic Mass:
331.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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