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Home > Bromides > 1275698-27-5
1275698-27-5 | 1-Bromo-3-fluoro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1275698-27-5 Catalog No: AG01ERMG MDL No:
Product Description
Catalog Number:
AG01ERMG
Chemical Name:
1-Bromo-3-fluoro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1275698-27-5
Molecular Formula:
C13H9BrF2S
Molecular Weight:
315.1764
IUPAC Name:
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H9BrF2S/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChI Key:
DXPGSYFINIOOPW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCc1ccc(cc1F)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.176g/mol
Monoisotopic Mass:
313.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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