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Home > Nitro Compounds > 338770-89-1
338770-89-1 | 1-[2-(2-nitroethyl)benzoyl]-4-phenylpiperazine
CAS No: 338770-89-1 Catalog No: AG00IO8V MDL No:MFCD00974264
Product Description
Catalog Number:
AG00IO8V
Chemical Name:
1-[2-(2-nitroethyl)benzoyl]-4-phenylpiperazine
CAS Number:
338770-89-1
Molecular Formula:
C19H21N3O3
Molecular Weight:
339.3883
MDL Number:
MFCD00974264
IUPAC Name:
[2-(2-nitroethyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
InChI:
InChI=1S/C19H21N3O3/c23-19(18-9-5-4-6-16(18)10-11-22(24)25)21-14-12-20(13-15-21)17-7-2-1-3-8-17/h1-9H,10-15H2
InChI Key:
QJTIWHYHHQCCKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1ccccc1C(=O)N1CCN(CC1)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.395g/mol
Monoisotopic Mass:
339.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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