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Home > Nitro Compounds > 1240581-72-9
1240581-72-9 | 3-methyl-1-(3-nitrobenzoyl)piperazine
CAS No: 1240581-72-9 Catalog No: AG00JVH3 MDL No:MFCD16811437
Product Description
Catalog Number:
AG00JVH3
Chemical Name:
3-methyl-1-(3-nitrobenzoyl)piperazine
CAS Number:
1240581-72-9
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD16811437
IUPAC Name:
(3-methylpiperazin-1-yl)-(3-nitrophenyl)methanone
InChI:
InChI=1S/C12H15N3O3/c1-9-8-14(6-5-13-9)12(16)10-3-2-4-11(7-10)15(17)18/h2-4,7,9,13H,5-6,8H2,1H3
InChI Key:
QAYNJNKTUBDOLT-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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