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203186-01-0 | Ethanone, 1-[4-(4-bromobenzoyl)-1-piperidinyl]-2,2,2-trifluoro-
CAS No: 203186-01-0 Catalog No: AG0028OZ MDL No:MFCD12912608
Product Description
Catalog Number:
AG0028OZ
Chemical Name:
Ethanone, 1-[4-(4-bromobenzoyl)-1-piperidinyl]-2,2,2-trifluoro-
CAS Number:
203186-01-0
Molecular Formula:
C14H13BrF3NO2
Molecular Weight:
364.1577
MDL Number:
MFCD12912608
IUPAC Name:
1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H13BrF3NO2/c15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18/h1-4,10H,5-8H2
InChI Key:
KVOSCEKBAMQYAE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)C1CCN(CC1)C(=O)C(F)(F)F
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.162g/mol
Monoisotopic Mass:
363.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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