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Home > Nitro Compounds > 849516-63-8
849516-63-8 | 2-[4-(2-furylcarbonyl)piperazino]-5-nitrobenzonitrile
CAS No: 849516-63-8 Catalog No: AG00J72H MDL No:MFCD07355516
Product Description
Catalog Number:
AG00J72H
Chemical Name:
2-[4-(2-furylcarbonyl)piperazino]-5-nitrobenzonitrile
CAS Number:
849516-63-8
Molecular Formula:
C16H14N4O4
Molecular Weight:
326.3068
MDL Number:
MFCD07355516
IUPAC Name:
2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitrobenzonitrile
InChI:
InChI=1S/C16H14N4O4/c17-11-12-10-13(20(22)23)3-4-14(12)18-5-7-19(8-6-18)16(21)15-2-1-9-24-15/h1-4,9-10H,5-8H2
InChI Key:
GZIAVHMQEZPYLG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCN(CC1)C(=O)c1ccco1)[N+](=O)[O-]
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.312g/mol
Monoisotopic Mass:
326.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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