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Home > Nitro Compounds > 831203-97-5
831203-97-5 | Piperazine, 1-[(4-hydroxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS No: 831203-97-5 Catalog No: AG004WBL MDL No:
Product Description
Catalog Number:
AG004WBL
Chemical Name:
Piperazine, 1-[(4-hydroxyphenyl)methyl]-4-[(5-nitro-2-furanyl)carbonyl]-
CAS Number:
831203-97-5
Molecular Formula:
C16H17N3O5
Molecular Weight:
331.3233
IUPAC Name:
[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
InChI:
InChI=1S/C16H17N3O5/c20-13-3-1-12(2-4-13)11-17-7-9-18(10-8-17)16(21)14-5-6-15(24-14)19(22)23/h1-6,20H,7-11H2
InChI Key:
GTDRTNZMMGJQKJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.328g/mol
Monoisotopic Mass:
331.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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