Home Other Building Blocks 1-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one hydrochloride

1-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one hydrochloride

CAS No.:
2044834-79-7
Catalog Number:
AG01BXNK
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
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Product Description
Catalog Number:
AG01BXNK
Chemical Name:
1-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one hydrochloride
CAS Number:
2044834-79-7
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
MDL Number:
MFCD30487891
IUPAC Name:
1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one;hydrochloride
InChI:
InChI=1S/C12H13F3N2O.ClH/c13-12(14,15)10-3-1-9(2-4-10)8-17-6-5-16-7-11(17)18;/h1-4,16H,5-8H2;1H
InChI Key:
OPZMBLZJKOQDTR-UHFFFAOYSA-N
SMILES:
O=C1CNCCN1Cc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.702g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties