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Home > Nitro Compounds > 146795-26-8
146795-26-8 | 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro-
CAS No: 146795-26-8 Catalog No: AG001ECJ MDL No:
Product Description
Catalog Number:
AG001ECJ
Chemical Name:
3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro-
CAS Number:
146795-26-8
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
IUPAC Name:
N-(4-methoxyphenyl)-5-nitrothiophene-3-carboxamide
InChI:
InChI=1S/C12H10N2O4S/c1-18-10-4-2-9(3-5-10)13-12(15)8-6-11(14(16)17)19-7-8/h2-7H,1H3,(H,13,15)
InChI Key:
AGMLIICQHWMQGU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.282g/mol
Monoisotopic Mass:
278.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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