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Home > Aldehydes > 1803599-49-6
1803599-49-6 | 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carbaldehyde
CAS No: 1803599-49-6 Catalog No: AG01AC1Q MDL No:MFCD26407831
Product Description
Catalog Number:
AG01AC1Q
Chemical Name:
4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carbaldehyde
CAS Number:
1803599-49-6
Molecular Formula:
C12H14F3N3O
Molecular Weight:
273.2543
MDL Number:
MFCD26407831
IUPAC Name:
4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carbaldehyde
InChI:
InChI=1S/C12H14F3N3O/c13-12(14,15)10-7-9(16)1-2-11(10)18-5-3-17(8-19)4-6-18/h1-2,7-8H,3-6,16H2
InChI Key:
HLRNUXWQKXYGKM-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ccc(cc1C(F)(F)F)N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.259g/mol
Monoisotopic Mass:
273.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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