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Home > Nitro Compounds > 1240573-95-8
1240573-95-8 | 1-(3,5-dinitrobenzoyl)-3-methylpiperazine
CAS No: 1240573-95-8 Catalog No: AG00JVGY MDL No:MFCD16811431
Product Description
Catalog Number:
AG00JVGY
Chemical Name:
1-(3,5-dinitrobenzoyl)-3-methylpiperazine
CAS Number:
1240573-95-8
Molecular Formula:
C12H14N4O5
Molecular Weight:
294.2634
MDL Number:
MFCD16811431
IUPAC Name:
(3,5-dinitrophenyl)-(3-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C12H14N4O5/c1-8-7-14(3-2-13-8)12(17)9-4-10(15(18)19)6-11(5-9)16(20)21/h4-6,8,13H,2-3,7H2,1H3
InChI Key:
VBYYXMZSPFFPDL-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.267g/mol
Monoisotopic Mass:
294.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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