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Home > Bromides > 1314987-31-9
1314987-31-9 | Benzene, 1,5-dibromo-2-fluoro-4-(methylthio)-
CAS No: 1314987-31-9 Catalog No: AG000WBV MDL No:MFCD19684123
Product Description
Catalog Number:
AG000WBV
Chemical Name:
Benzene, 1,5-dibromo-2-fluoro-4-(methylthio)-
CAS Number:
1314987-31-9
Molecular Formula:
C7H5Br2FS
Molecular Weight:
299.9860
MDL Number:
MFCD19684123
IUPAC Name:
1,5-dibromo-2-fluoro-4-methylsulfanylbenzene
InChI:
InChI=1S/C7H5Br2FS/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,1H3
InChI Key:
CSHNQTHLIOVXML-UHFFFAOYSA-N
SMILES:
CSc1cc(F)c(cc1Br)Br
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.844g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.983g/mol
Monoisotopic Mass:
297.846g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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