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Home > Nitro Compounds > 1116229-11-8
1116229-11-8 | 1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone
CAS No: 1116229-11-8 Catalog No: AG008ZTY MDL No:MFCD26400580
Product Description
Catalog Number:
AG008ZTY
Chemical Name:
1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone
CAS Number:
1116229-11-8
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
MDL Number:
MFCD26400580
IUPAC Name:
1-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H17N3O4/c1-10(17)14-5-7-15(8-6-14)11-3-4-12(16(18)19)13(9-11)20-2/h3-4,9H,5-8H2,1-2H3
InChI Key:
GUTDYFMBYFDQBU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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