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Home > Bromides > 1257664-90-6
1257664-90-6 | 2-Piperidinone, 1-[4-bromo-3-(trifluoromethyl)phenyl]-
CAS No: 1257664-90-6 Catalog No: AG000OOJ MDL No:MFCD04037069
Product Description
Catalog Number:
AG000OOJ
Chemical Name:
2-Piperidinone, 1-[4-bromo-3-(trifluoromethyl)phenyl]-
CAS Number:
1257664-90-6
Molecular Formula:
C12H11BrF3NO
Molecular Weight:
322.1210
MDL Number:
MFCD04037069
IUPAC Name:
1-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-2-one
InChI:
InChI=1S/C12H11BrF3NO/c13-10-5-4-8(7-9(10)12(14,15)16)17-6-2-1-3-11(17)18/h4-5,7H,1-3,6H2
InChI Key:
LTVWQJQBGMWUKJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCN1c1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.125g/mol
Monoisotopic Mass:
320.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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