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Home > Nitro Compounds > 73155-21-2
73155-21-2 | Aziridine, 1-[(2,4-dinitrophenyl)thio]-2-phenyl-
CAS No: 73155-21-2 Catalog No: AG005QVR MDL No:
Product Description
Catalog Number:
AG005QVR
Chemical Name:
Aziridine, 1-[(2,4-dinitrophenyl)thio]-2-phenyl-
CAS Number:
73155-21-2
Molecular Formula:
C14H11N3O4S
Molecular Weight:
317.3198
IUPAC Name:
1-(2,4-dinitrophenyl)sulfanyl-2-phenylaziridine
InChI:
InChI=1S/C14H11N3O4S/c18-16(19)11-6-7-14(12(8-11)17(20)21)22-15-9-13(15)10-4-2-1-3-5-10/h1-8,13H,9H2
InChI Key:
GQKFLKJGIRASBJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SN1CC1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.319g/mol
Monoisotopic Mass:
317.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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