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Home > Nitro Compounds > 289476-03-5
289476-03-5 | 1-benzyl-4-(3,5-dinitrobenzoyl)piperazine
CAS No: 289476-03-5 Catalog No: AG00IVD1 MDL No:MFCD00862228
Product Description
Catalog Number:
AG00IVD1
Chemical Name:
1-benzyl-4-(3,5-dinitrobenzoyl)piperazine
CAS Number:
289476-03-5
Molecular Formula:
C18H18N4O5
Molecular Weight:
370.3593
MDL Number:
MFCD00862228
IUPAC Name:
(4-benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone
InChI:
InChI=1S/C18H18N4O5/c23-18(15-10-16(21(24)25)12-17(11-15)22(26)27)20-8-6-19(7-9-20)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2
InChI Key:
XWSINDZIARKWDJ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.365g/mol
Monoisotopic Mass:
370.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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