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1215206-00-0 | 2(1H)-Pyridinone, 3-bromo-1-(phenylmethyl)-5-(trifluoromethyl)-
CAS No: 1215206-00-0 Catalog No: AG001569 MDL No:MFCD15143621
Product Description
Catalog Number:
AG001569
Chemical Name:
2(1H)-Pyridinone, 3-bromo-1-(phenylmethyl)-5-(trifluoromethyl)-
CAS Number:
1215206-00-0
Molecular Formula:
C13H9BrF3NO
Molecular Weight:
332.1159
MDL Number:
MFCD15143621
IUPAC Name:
1-benzyl-3-bromo-5-(trifluoromethyl)pyridin-2-one
InChI:
InChI=1S/C13H9BrF3NO/c14-11-6-10(13(15,16)17)8-18(12(11)19)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
FIJNVJVKAFYPBW-UHFFFAOYSA-N
SMILES:
Brc1cc(cn(c1=O)Cc1ccccc1)C(F)(F)F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.982g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.12g/mol
Monoisotopic Mass:
330.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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