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Home > Bromides > 1379330-05-8
1379330-05-8 | Ethanone, 2-bromo-1-[4-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1379330-05-8 Catalog No: AG001452 MDL No:
Product Description
Catalog Number:
AG001452
Chemical Name:
Ethanone, 2-bromo-1-[4-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1379330-05-8
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
IUPAC Name:
1-[2-methyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
InChI:
InChI=1S/C22H28N2O6S3/c1-17-7-9-19(15-21(17)32(27,28)23-11-3-4-12-23)31(25,26)20-10-8-18(2)22(16-20)33(29,30)24-13-5-6-14-24/h7-10,15-16H,3-6,11-14H2,1-2H3
InChI Key:
ZUZMNGBALIBZCV-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nccc(c1)C(F)(F)F
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.111g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.654g/mol
Monoisotopic Mass:
512.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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