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Home > Nitro Compounds > 122777-71-3
122777-71-3 | Acetamide, N-hexyl-N-(2-nitro-3-thienyl)-
CAS No: 122777-71-3 Catalog No: AG000JGZ MDL No:
Product Description
Catalog Number:
AG000JGZ
Chemical Name:
Acetamide, N-hexyl-N-(2-nitro-3-thienyl)-
CAS Number:
122777-71-3
Molecular Formula:
C12H18N2O3S
Molecular Weight:
270.3479
IUPAC Name:
N-hexyl-N-(2-nitrothiophen-3-yl)acetamide
InChI:
InChI=1S/C12H18N2O3S/c1-3-4-5-6-8-13(10(2)15)11-7-9-18-12(11)14(16)17/h7,9H,3-6,8H2,1-2H3
InChI Key:
LJKMIELWDIVIFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sccc1N(C(=O)C)CCCCCC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.347g/mol
Monoisotopic Mass:
270.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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