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Home > Nitro Compounds > 761349-15-9
761349-15-9 | Piperazine, 1-[(3-methoxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS No: 761349-15-9 Catalog No: AG005G56 MDL No:
Product Description
Catalog Number:
AG005G56
Chemical Name:
Piperazine, 1-[(3-methoxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS Number:
761349-15-9
Molecular Formula:
C17H19N3O5
Molecular Weight:
345.3499
IUPAC Name:
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
InChI:
InChI=1S/C17H19N3O5/c1-24-14-4-2-3-13(11-14)12-18-7-9-19(10-8-18)17(21)15-5-6-16(25-15)20(22)23/h2-6,11H,7-10,12H2,1H3
InChI Key:
WOISBGXFYRFNPQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CN1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.355g/mol
Monoisotopic Mass:
345.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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