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Home > Fluorides > 704873-33-6
704873-33-6 | (3-Fluoro-4-methoxy-phenyl)-(4-piperazin-1-yl-phenyl)-methanone
CAS No: 704873-33-6 Catalog No: AG01EX1D MDL No:
Product Description
Catalog Number:
AG01EX1D
Chemical Name:
(3-Fluoro-4-methoxy-phenyl)-(4-piperazin-1-yl-phenyl)-methanone
CAS Number:
704873-33-6
Molecular Formula:
C18H19FN2O2
Molecular Weight:
314.3541
IUPAC Name:
(3-fluoro-4-methoxyphenyl)-(4-piperazin-1-ylphenyl)methanone
InChI:
InChI=1S/C18H19FN2O2/c1-23-17-7-4-14(12-16(17)19)18(22)13-2-5-15(6-3-13)21-10-8-20-9-11-21/h2-7,12,20H,8-11H2,1H3
InChI Key:
MVFQTSOREFFANP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)c1ccc(cc1)N1CCNCC1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.36g/mol
Monoisotopic Mass:
314.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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