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864362-75-4 | Thiophene, 3-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]-
CAS No: 864362-75-4 Catalog No: AG004QV3 MDL No:
Product Description
Catalog Number:
AG004QV3
Chemical Name:
Thiophene, 3-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]-
CAS Number:
864362-75-4
Molecular Formula:
C12H8BrF3S
Molecular Weight:
321.1561
IUPAC Name:
3-bromo-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene
InChI:
InChI=1S/C12H8BrF3S/c1-7-10(13)6-11(17-7)8-3-2-4-9(5-8)12(14,15)16/h2-6H,1H3
InChI Key:
DYWJJIRNDHKDKG-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1C)c1cccc(c1)C(F)(F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.948g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.155g/mol
Monoisotopic Mass:
319.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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