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Home > Fluorides > 1256633-30-3
1256633-30-3 | Benzoic acid, 5-fluoro-2-[4-(phenylmethyl)-1-piperazinyl]-, methyl ester
CAS No: 1256633-30-3 Catalog No: AG000OB9 MDL No:MFCD18070990
Product Description
Catalog Number:
AG000OB9
Chemical Name:
Benzoic acid, 5-fluoro-2-[4-(phenylmethyl)-1-piperazinyl]-, methyl ester
CAS Number:
1256633-30-3
Molecular Formula:
C19H21FN2O2
Molecular Weight:
328.3806
MDL Number:
MFCD18070990
IUPAC Name:
methyl 2-(4-benzylpiperazin-1-yl)-5-fluorobenzoate
InChI:
InChI=1S/C19H21FN2O2/c1-24-19(23)17-13-16(20)7-8-18(17)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChI Key:
AGPAGDTZNRMSLV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)ccc1N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.387g/mol
Monoisotopic Mass:
328.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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