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Home > Bromides > 1405940-53-5
1405940-53-5 | 1-Bromo-3-fluoro-4-[(3-chlorophenyl)sulfanylmethyl]benzene
CAS No: 1405940-53-5 Catalog No: AG01ETRY MDL No:
Product Description
Catalog Number:
AG01ETRY
Chemical Name:
1-Bromo-3-fluoro-4-[(3-chlorophenyl)sulfanylmethyl]benzene
CAS Number:
1405940-53-5
Molecular Formula:
C13H9BrClFS
Molecular Weight:
331.6310
IUPAC Name:
4-bromo-1-[(3-chlorophenyl)sulfanylmethyl]-2-fluorobenzene
InChI:
InChI=1S/C13H9BrClFS/c14-10-5-4-9(13(16)6-10)8-17-12-3-1-2-11(15)7-12/h1-7H,8H2
InChI Key:
NDNBSKIGJDBQCB-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CSc1cccc(c1)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.928g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.627g/mol
Monoisotopic Mass:
329.928g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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