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Home > Bromides > 1275711-30-2
1275711-30-2 | 1-Bromo-3-fluoro-4-(phenylsulfanylmethyl)benzene
CAS No: 1275711-30-2 Catalog No: AG01ERMH MDL No:
Product Description
Catalog Number:
AG01ERMH
Chemical Name:
1-Bromo-3-fluoro-4-(phenylsulfanylmethyl)benzene
CAS Number:
1275711-30-2
Molecular Formula:
C13H10BrFS
Molecular Weight:
297.1859
IUPAC Name:
4-bromo-2-fluoro-1-(phenylsulfanylmethyl)benzene
InChI:
InChI=1S/C13H10BrFS/c14-11-7-6-10(13(15)8-11)9-16-12-4-2-1-3-5-12/h1-8H,9H2
InChI Key:
FAKVMPWESMKUQT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CSc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.185g/mol
Monoisotopic Mass:
295.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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