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889963-21-7 | methyl (4-fluorophenyl)(4-phenylpiperazin-1-yl)acetate hydrobromide
CAS No: 889963-21-7 Catalog No: AG01F5GF MDL No:
Product Description
Catalog Number:
AG01F5GF
Chemical Name:
methyl (4-fluorophenyl)(4-phenylpiperazin-1-yl)acetate hydrobromide
CAS Number:
889963-21-7
Molecular Formula:
C19H21FN2O2
Molecular Weight:
328.3806
IUPAC Name:
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
InChI:
InChI=1S/C19H21FN2O2/c1-24-19(23)18(15-7-9-16(20)10-8-15)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3
InChI Key:
GNZYWIDKLQOFMO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)F)N1CCN(CC1)c1ccccc1
Properties
Complexity:
398
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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