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Home > Aldehydes > 1197193-16-0
1197193-16-0 | Benzaldehyde, 4-fluoro-3-(4-methyl-1-piperazinyl)-
CAS No: 1197193-16-0 Catalog No: AG000PIZ MDL No:MFCD13191605
Product Description
Catalog Number:
AG000PIZ
Chemical Name:
Benzaldehyde, 4-fluoro-3-(4-methyl-1-piperazinyl)-
CAS Number:
1197193-16-0
Molecular Formula:
C12H15FN2O
Molecular Weight:
222.2587
MDL Number:
MFCD13191605
IUPAC Name:
4-fluoro-3-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15FN2O/c1-14-4-6-15(7-5-14)12-8-10(9-16)2-3-11(12)13/h2-3,8-9H,4-7H2,1H3
InChI Key:
LKLSDLACNUEQLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)N1CCN(CC1)C)F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.263g/mol
Monoisotopic Mass:
222.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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