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853297-04-8 | (4-Amino-2-(trifluoromethyl)phenyl)(4-methylpiperazin-1-yl)methanone
CAS No: 853297-04-8 Catalog No: AG003CRK MDL No:MFCD18911740
Product Description
Catalog Number:
AG003CRK
Chemical Name:
(4-Amino-2-(trifluoromethyl)phenyl)(4-methylpiperazin-1-yl)methanone
CAS Number:
853297-04-8
Molecular Formula:
C13H16F3N3O
Molecular Weight:
287.2808
MDL Number:
MFCD18911740
IUPAC Name:
[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C13H16F3N3O/c1-18-4-6-19(7-5-18)12(20)10-3-2-9(17)8-11(10)13(14,15)16/h2-3,8H,4-7,17H2,1H3
InChI Key:
MFOSAHLGQDMTAV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1C(F)(F)F)N
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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