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Home > Bromides > 1443303-54-5
1443303-54-5 | 1-Bromo-4-fluoro-2-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443303-54-5 Catalog No: AG01ETXP MDL No:
Product Description
Catalog Number:
AG01ETXP
Chemical Name:
1-Bromo-4-fluoro-2-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443303-54-5
Molecular Formula:
C13H8BrF3S
Molecular Weight:
333.1668
IUPAC Name:
1-bromo-2-[(3,5-difluorophenyl)sulfanylmethyl]-4-fluorobenzene
InChI:
InChI=1S/C13H8BrF3S/c14-13-2-1-9(15)3-8(13)7-18-12-5-10(16)4-11(17)6-12/h1-6H,7H2
InChI Key:
CFBDHXLWKOBPJB-UHFFFAOYSA-N
SMILES:
Fc1cc(SCc2cc(F)ccc2Br)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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