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Home > Nitro Compounds > 89846-92-4
89846-92-4 | Propanamide, 3-[(2,4-dinitrophenyl)dithio]-N-methyl-
CAS No: 89846-92-4 Catalog No: AG003XGG MDL No:
Product Description
Catalog Number:
AG003XGG
Chemical Name:
Propanamide, 3-[(2,4-dinitrophenyl)dithio]-N-methyl-
CAS Number:
89846-92-4
Molecular Formula:
C10H11N3O5S2
Molecular Weight:
317.3414
IUPAC Name:
3-[(2,4-dinitrophenyl)disulfanyl]-N-methylpropanamide
InChI:
InChI=1S/C10H11N3O5S2/c1-11-10(14)4-5-19-20-9-3-2-7(12(15)16)6-8(9)13(17)18/h2-3,6H,4-5H2,1H3,(H,11,14)
InChI Key:
KEDAAFGMUKKIPD-UHFFFAOYSA-N
SMILES:
CNC(=O)CCSSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.014g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.334g/mol
Monoisotopic Mass:
317.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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