Home Other Building Blocks 1-(3-fluoro-4-methylbenzoyl)piperazine hydrochloride

1-(3-fluoro-4-methylbenzoyl)piperazine hydrochloride

CAS No.:
1181457-89-5
Catalog Number:
AG019VHE
Molecular Formula:
C12H16ClFN2O
Molecular Weight:
258.7196
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Product Description
Catalog Number:
AG019VHE
Chemical Name:
1-(3-fluoro-4-methylbenzoyl)piperazine hydrochloride
CAS Number:
1181457-89-5
Molecular Formula:
C12H16ClFN2O
Molecular Weight:
258.7196
MDL Number:
MFCD12197176
IUPAC Name:
(3-fluoro-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
InChI:
InChI=1S/C12H15FN2O.ClH/c1-9-2-3-10(8-11(9)13)12(16)15-6-4-14-5-7-15;/h2-3,8,14H,4-7H2,1H3;1H
InChI Key:
SIHJOWSVHCATNJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)C)N1CCNCC1.Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.721g/mol
Monoisotopic Mass:
258.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties