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Home > Nitro Compounds > 862685-95-8
862685-95-8 | 1-acetyl-4-(2-methyl-4-nitrophenyl)piperazine
CAS No: 862685-95-8 Catalog No: AG00JH1U MDL No:MFCD07022075
Product Description
Catalog Number:
AG00JH1U
Chemical Name:
1-acetyl-4-(2-methyl-4-nitrophenyl)piperazine
CAS Number:
862685-95-8
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
MDL Number:
MFCD07022075
IUPAC Name:
1-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H17N3O3/c1-10-9-12(16(18)19)3-4-13(10)15-7-5-14(6-8-15)11(2)17/h3-4,9H,5-8H2,1-2H3
InChI Key:
FERROHDBOLXRKT-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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