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Home > Bromides > 1443341-27-2
1443341-27-2 | 1-Bromo-3-fluoro-4-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443341-27-2 Catalog No: AG01EU2W MDL No:
Product Description
Catalog Number:
AG01EU2W
Chemical Name:
1-Bromo-3-fluoro-4-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443341-27-2
Molecular Formula:
C13H8BrF3S
Molecular Weight:
333.1668
IUPAC Name:
1-[(4-bromo-2-fluorophenyl)methylsulfanyl]-3,5-difluorobenzene
InChI:
InChI=1S/C13H8BrF3S/c14-9-2-1-8(13(17)3-9)7-18-12-5-10(15)4-11(16)6-12/h1-6H,7H2
InChI Key:
XTEYXMLSGNGPKX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CSc1cc(F)cc(c1)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.166g/mol
Monoisotopic Mass:
331.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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