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Home > Nitro Compounds > 478248-42-9
478248-42-9 | N-methyl-5-nitro-1-benzothiophene-2-carboxamide
CAS No: 478248-42-9 Catalog No: AG00IZ5A MDL No:MFCD02082943
Product Description
Catalog Number:
AG00IZ5A
Chemical Name:
N-methyl-5-nitro-1-benzothiophene-2-carboxamide
CAS Number:
478248-42-9
Molecular Formula:
C10H8N2O3S
Molecular Weight:
236.2471
MDL Number:
MFCD02082943
IUPAC Name:
N-methyl-5-nitro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C10H8N2O3S/c1-11-10(13)9-5-6-4-7(12(14)15)2-3-8(6)16-9/h2-5H,1H3,(H,11,13)
InChI Key:
FYVUPXRNSBHAJW-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.245g/mol
Monoisotopic Mass:
236.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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