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Home > Bromides > 1443336-14-8
1443336-14-8 | 1-Bromo-4-fluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1443336-14-8 Catalog No: AG01EU1L MDL No:
Product Description
Catalog Number:
AG01EU1L
Chemical Name:
1-Bromo-4-fluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443336-14-8
Molecular Formula:
C13H9BrF2S
Molecular Weight:
315.1764
IUPAC Name:
1-bromo-4-fluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H9BrF2S/c14-13-5-4-11(16)6-9(13)8-17-12-3-1-2-10(15)7-12/h1-7H,8H2
InChI Key:
YMAYSSVIKCEOMS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)SCc1cc(F)ccc1Br
Properties
Complexity:
240
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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