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Home > Nitro Compounds > 2059937-03-8
2059937-03-8 | 6-methyl-3-(3-nitrophenyl)piperazin-2-one
CAS No: 2059937-03-8 Catalog No: AG01BQQZ MDL No:MFCD30501821
Product Description
Catalog Number:
AG01BQQZ
Chemical Name:
6-methyl-3-(3-nitrophenyl)piperazin-2-one
CAS Number:
2059937-03-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD30501821
IUPAC Name:
6-methyl-3-(3-nitrophenyl)piperazin-2-one
InChI:
InChI=1S/C11H13N3O3/c1-7-6-12-10(11(15)13-7)8-3-2-4-9(5-8)14(16)17/h2-5,7,10,12H,6H2,1H3,(H,13,15)
InChI Key:
UUCBMTNACHXYST-UHFFFAOYSA-N
SMILES:
CC1CNC(C(=O)N1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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