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Home > Nitro Compounds > 477847-42-0
477847-42-0 | 5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
CAS No: 477847-42-0 Catalog No: AG00IN6R MDL No:MFCD02082845
Product Description
Catalog Number:
AG00IN6R
Chemical Name:
5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
CAS Number:
477847-42-0
Molecular Formula:
C15H10N2O3S
Molecular Weight:
298.3165
MDL Number:
MFCD02082845
IUPAC Name:
5-nitro-N-phenyl-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C15H10N2O3S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)21-14/h1-9H,(H,16,18)
InChI Key:
VGJQBULWAVUUNC-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(s1)ccc(c2)[N+](=O)[O-])Nc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.316g/mol
Monoisotopic Mass:
298.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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