Home Nitros 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride

1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride

CAS No.:
470472-16-3
Catalog Number:
AG019JD5
Molecular Formula:
C11H13ClF3N3O2
Molecular Weight:
311.6880
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Product Description
Catalog Number:
AG019JD5
Chemical Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine hydrochloride
CAS Number:
470472-16-3
Molecular Formula:
C11H13ClF3N3O2
Molecular Weight:
311.6880
MDL Number:
MFCD01114782
IUPAC Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
InChI:
InChI=1S/C11H12F3N3O2.ClH/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)16-5-3-15-4-6-16;/h1-2,7,15H,3-6H2;1H
InChI Key:
HMCNERKLDYVVHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCNCC1)C(F)(F)F.Cl
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.065g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.689g/mol
Monoisotopic Mass:
311.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties