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Home > Fluorides > 1197193-39-7
1197193-39-7 | Benzoic acid, 5-fluoro-2-(1-piperazinyl)-
CAS No: 1197193-39-7 Catalog No: AG000PJU MDL No:MFCD13191606
Product Description
Catalog Number:
AG000PJU
Chemical Name:
Benzoic acid, 5-fluoro-2-(1-piperazinyl)-
CAS Number:
1197193-39-7
Molecular Formula:
C11H13FN2O2
Molecular Weight:
224.2315
MDL Number:
MFCD13191606
IUPAC Name:
5-fluoro-2-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13FN2O2/c12-8-1-2-10(9(7-8)11(15)16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)
InChI Key:
YFHIYLRCMPTEGK-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)N1CCNCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.235g/mol
Monoisotopic Mass:
224.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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