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Home > Fluorides > 144647-64-3
144647-64-3 | Ethanone, 1-[2,5-difluoro-4-(3-methyl-1-piperazinyl)phenyl]-
CAS No: 144647-64-3 Catalog No: AG001JWU MDL No:
Product Description
Catalog Number:
AG001JWU
Chemical Name:
Ethanone, 1-[2,5-difluoro-4-(3-methyl-1-piperazinyl)phenyl]-
CAS Number:
144647-64-3
Molecular Formula:
C13H16F2N2O
Molecular Weight:
254.2757
IUPAC Name:
1-[2,5-difluoro-4-(3-methylpiperazin-1-yl)phenyl]ethanone
InChI:
InChI=1S/C13H16F2N2O/c1-8-7-17(4-3-16-8)13-6-11(14)10(9(2)18)5-12(13)15/h5-6,8,16H,3-4,7H2,1-2H3
InChI Key:
XQLQHTWNLFFSPJ-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1cc(F)c(cc1F)C(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.123g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.281g/mol
Monoisotopic Mass:
254.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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