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Home > Nitro Compounds > 664303-07-5
664303-07-5 | 2-Furancarboxamide,N-(3-ethynylphenyl)-5-nitro-(9CI)
CAS No: 664303-07-5 Catalog No: AG00FQQO MDL No:MFCD00218081
Product Description
Catalog Number:
AG00FQQO
Chemical Name:
2-Furancarboxamide,N-(3-ethynylphenyl)-5-nitro-(9CI)
CAS Number:
664303-07-5
Molecular Formula:
C13H8N2O4
Molecular Weight:
256.2136
MDL Number:
MFCD00218081
IUPAC Name:
N-(3-ethynylphenyl)-5-nitrofuran-2-carboxamide
InChI:
InChI=1S/C13H8N2O4/c1-2-9-4-3-5-10(8-9)14-13(16)11-6-7-12(19-11)15(17)18/h1,3-8H,(H,14,16)
InChI Key:
OYTGIQNWDDYRHS-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NC(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.217g/mol
Monoisotopic Mass:
256.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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