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Home > Nitro Compounds > 89811-27-8
89811-27-8 | 2-Propenamide, 3-(5-nitro-2-furanyl)-N-(phenylmethyl)-
CAS No: 89811-27-8 Catalog No: AG003ZAU MDL No:
Product Description
Catalog Number:
AG003ZAU
Chemical Name:
2-Propenamide, 3-(5-nitro-2-furanyl)-N-(phenylmethyl)-
CAS Number:
89811-27-8
Molecular Formula:
C14H12N2O4
Molecular Weight:
272.2561
IUPAC Name:
N-benzyl-3-(5-nitrofuran-2-yl)prop-2-enamide
InChI:
InChI=1S/C14H12N2O4/c17-13(15-10-11-4-2-1-3-5-11)8-6-12-7-9-14(20-12)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key:
WLGOLTAXKGWYJV-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1)C=Cc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.26g/mol
Monoisotopic Mass:
272.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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