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180698-14-0 | Piperazine, 1-(3,5-difluorophenyl)-
CAS No: 180698-14-0 Catalog No: AG00228A MDL No:MFCD11110950
Product Description
Catalog Number:
AG00228A
Chemical Name:
Piperazine, 1-(3,5-difluorophenyl)-
CAS Number:
180698-14-0
Molecular Formula:
C10H12F2N2
Molecular Weight:
198.2125
MDL Number:
MFCD11110950
IUPAC Name:
1-(3,5-difluorophenyl)piperazine
InChI:
InChI=1S/C10H12F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChI Key:
TWSOQIHDPMMWAJ-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)F)N1CCNCC1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.217g/mol
Monoisotopic Mass:
198.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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