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346729-48-4,MFCD27854574
Catalog No.:AA01BBGJ
346729-48-4 | 1-(3-chloro-5-(trifluoromethyl)phenyl)piperazine
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Technical Information
Catalog Number:
AA01BBGJ
Chemical Name:
1-(3-chloro-5-(trifluoromethyl)phenyl)piperazine
CAS Number:
346729-48-4
Molecular Formula:
C11H12ClF3N2
Molecular Weight:
264.6746
MDL Number:
MFCD27854574
IUPAC Name:
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
InChI:
InChI=1S/C11H12ClF3N2/c12-9-5-8(11(13,14)15)6-10(7-9)17-3-1-16-2-4-17/h5-7,16H,1-4H2
InChI Key:
DDWYBHPNFVYDDC-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(F)(F)F)N1CCNCC1
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.676g/mol
Monoisotopic Mass:
264.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
346729-48-4 
1-(3-Chloro-5-trifluoromethyl-phenyl)-piperazine 
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine 
1-(3-chloro-5-(trifluoromethyl)phenyl)piperazine 
SCHEMBL2928093 
DDWYBHPNFVYDDC-UHFFFAOYSA-N 
ZINC142998235 
Literature
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