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Home > Bromides > 1242336-51-1
1242336-51-1 | 2,1,3-Benzothiadiazole, 5-bromo-6-fluoro-
CAS No: 1242336-51-1 Catalog No: AG000LPB MDL No:MFCD16660290
Product Description
Catalog Number:
AG000LPB
Chemical Name:
2,1,3-Benzothiadiazole, 5-bromo-6-fluoro-
CAS Number:
1242336-51-1
Molecular Formula:
C6H2BrFN2S
Molecular Weight:
233.0609
MDL Number:
MFCD16660290
IUPAC Name:
5-bromo-6-fluoro-2,1,3-benzothiadiazole
InChI:
InChI=1S/C6H2BrFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChI Key:
ASAVGHCROROMLC-UHFFFAOYSA-N
SMILES:
Brc1cc2nsnc2cc1F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.911g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.058g/mol
Monoisotopic Mass:
231.911g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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