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Home > Nitro Compounds > 69414-54-6
69414-54-6 | 1-(3,5-dinitrobenzoyl)piperazine
CAS No: 69414-54-6 Catalog No: AG00JVEJ MDL No:
Product Description
Catalog Number:
AG00JVEJ
Chemical Name:
1-(3,5-dinitrobenzoyl)piperazine
CAS Number:
69414-54-6
Molecular Formula:
C11H12N4O5
Molecular Weight:
280.2368
IUPAC Name:
(3,5-dinitrophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H12N4O5/c16-11(13-3-1-12-2-4-13)8-5-9(14(17)18)7-10(6-8)15(19)20/h5-7,12H,1-4H2
InChI Key:
IPVSOJZLFUZJAB-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.24g/mol
Monoisotopic Mass:
280.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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