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Home > Nitro Compounds > 21091-99-6
21091-99-6 | 1-(2-methoxyphenyl)-4-(4-nitrobenzoyl)piperazine
CAS No: 21091-99-6 Catalog No: AG00J04L MDL No:MFCD00593199
Product Description
Catalog Number:
AG00J04L
Chemical Name:
1-(2-methoxyphenyl)-4-(4-nitrobenzoyl)piperazine
CAS Number:
21091-99-6
Molecular Formula:
C18H19N3O4
Molecular Weight:
341.3612
MDL Number:
MFCD00593199
IUPAC Name:
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
InChI:
InChI=1S/C18H19N3O4/c1-25-17-5-3-2-4-16(17)19-10-12-20(13-11-19)18(22)14-6-8-15(9-7-14)21(23)24/h2-9H,10-13H2,1H3
InChI Key:
BTSWBJKSKBKROS-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.367g/mol
Monoisotopic Mass:
341.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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