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Home > Nitro Compounds > 546120-15-4
546120-15-4 | 2-[4-(3,5-dinitrobenzoyl)piperazin-1-yl]pyrimidine
CAS No: 546120-15-4 Catalog No: AG00IVA9 MDL No:MFCD00860993
Product Description
Catalog Number:
AG00IVA9
Chemical Name:
2-[4-(3,5-dinitrobenzoyl)piperazin-1-yl]pyrimidine
CAS Number:
546120-15-4
Molecular Formula:
C15H14N6O5
Molecular Weight:
358.3089
MDL Number:
MFCD00860993
IUPAC Name:
(3,5-dinitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
InChI:
InChI=1S/C15H14N6O5/c22-14(11-8-12(20(23)24)10-13(9-11)21(25)26)18-4-6-19(7-5-18)15-16-2-1-3-17-15/h1-3,8-10H,4-7H2
InChI Key:
QTVAGMHXNZFXGL-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCN(CC1)c1ncccn1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.314g/mol
Monoisotopic Mass:
358.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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