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Home > Nitro Compounds > 1553-59-9
1553-59-9 | Benzamide, 4-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 1553-59-9 Catalog No: AG001NTB MDL No:
Product Description
Catalog Number:
AG001NTB
Chemical Name:
Benzamide, 4-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
1553-59-9
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzamide
InChI:
InChI=1S/C13H10N2O4/c14-13(16)10-4-1-9(2-5-10)3-6-11-7-8-12(19-11)15(17)18/h1-8H,(H2,14,16)/b6-3+
InChI Key:
HYOFJFNXVKQCTR-ZZXKWVIFSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=Cc1ccc(cc1)C(=O)N
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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