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Home > Fluorides > 1256633-38-1
1256633-38-1 | Benzoic acid, 5-fluoro-2-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 1256633-38-1 Catalog No: AG000OB1 MDL No:MFCD18070991
Product Description
Catalog Number:
AG000OB1
Chemical Name:
Benzoic acid, 5-fluoro-2-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
1256633-38-1
Molecular Formula:
C18H19FN2O2
Molecular Weight:
314.3541
MDL Number:
MFCD18070991
IUPAC Name:
2-(4-benzylpiperazin-1-yl)-5-fluorobenzoic acid
InChI:
InChI=1S/C18H19FN2O2/c19-15-6-7-17(16(12-15)18(22)23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23)
InChI Key:
ULOYDKUTNHOZGG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)N1CCN(CC1)Cc1ccccc1
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:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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