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Home > Aldehydes > 883511-95-3
883511-95-3 | 2-(4-benzyl-1-piperazino)-4-bromo-benzaldehyde
CAS No: 883511-95-3 Catalog No: AG0046UH MDL No:MFCD06656551
Product Description
Catalog Number:
AG0046UH
Chemical Name:
2-(4-benzyl-1-piperazino)-4-bromo-benzaldehyde
CAS Number:
883511-95-3
Molecular Formula:
C18H19BrN2O
Molecular Weight:
359.2603
MDL Number:
MFCD06656551
IUPAC Name:
2-(4-benzylpiperazin-1-yl)-4-bromobenzaldehyde
InChI:
InChI=1S/C18H19BrN2O/c19-17-7-6-16(14-22)18(12-17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
InChI Key:
VTKCZXGNQJYGHK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1N1CCN(CC1)Cc1ccccc1)Br
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.267g/mol
Monoisotopic Mass:
358.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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