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Home > Aldehydes > 306936-03-8
306936-03-8 | Benzaldehyde, 2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-
CAS No: 306936-03-8 Catalog No: AG0030VV MDL No:
Product Description
Catalog Number:
AG0030VV
Chemical Name:
Benzaldehyde, 2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-
CAS Number:
306936-03-8
Molecular Formula:
C17H16F3N3O
Molecular Weight:
335.3236
IUPAC Name:
2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde
InChI:
InChI=1S/C17H16F3N3O/c18-17(19,20)14-5-6-16(21-11-14)23-9-7-22(8-10-23)15-4-2-1-3-13(15)12-24/h1-6,11-12H,7-10H2
InChI Key:
IQYINUQJLSBDSQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.33g/mol
Monoisotopic Mass:
335.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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