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Home > Nitro Compounds > 831203-98-6
831203-98-6 | Piperazine, 1-[(4-methoxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS No: 831203-98-6 Catalog No: AG004WBK MDL No:
Product Description
Catalog Number:
AG004WBK
Chemical Name:
Piperazine, 1-[(4-methoxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS Number:
831203-98-6
Molecular Formula:
C17H19N3O5
Molecular Weight:
345.3499
IUPAC Name:
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
InChI:
InChI=1S/C17H19N3O5/c1-24-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)17(21)15-6-7-16(25-15)20(22)23/h2-7H,8-12H2,1H3
InChI Key:
RJXOUHGMCNAAGJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
467
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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