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182141-70-4 | Acetamide, N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoro-
CAS No: 182141-70-4 Catalog No: AG0023F1 MDL No:MFCD15474864
Product Description
Catalog Number:
AG0023F1
Chemical Name:
Acetamide, N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoro-
CAS Number:
182141-70-4
Molecular Formula:
C10H9BrF3NO
Molecular Weight:
296.0838
MDL Number:
MFCD15474864
IUPAC Name:
N-[(1S)-1-(4-bromophenyl)ethyl]-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C10H9BrF3NO/c1-6(15-9(16)10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,15,16)/t6-/m0/s1
InChI Key:
SHSKNAGOEXFZER-LURJTMIESA-N
SMILES:
C[C@@H](c1ccc(cc1)Br)NC(=O)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.087g/mol
Monoisotopic Mass:
294.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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