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853296-96-5 | Piperazine, 1-[3-amino-5-(trifluoromethyl)benzoyl]-4-methyl-
CAS No: 853296-96-5 Catalog No: AG004P85 MDL No:
Product Description
Catalog Number:
AG004P85
Chemical Name:
Piperazine, 1-[3-amino-5-(trifluoromethyl)benzoyl]-4-methyl-
CAS Number:
853296-96-5
Molecular Formula:
C13H16F3N3O
Molecular Weight:
287.2808
IUPAC Name:
[3-amino-5-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C13H16F3N3O/c1-18-2-4-19(5-3-18)12(20)9-6-10(13(14,15)16)8-11(17)7-9/h6-8H,2-5,17H2,1H3
InChI Key:
VPZSTVPVDGHXIR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1cc(N)cc(c1)C(F)(F)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.286g/mol
Monoisotopic Mass:
287.125g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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