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Home > Bromides > 1192352-08-1
1192352-08-1 | 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(octyloxy)-
CAS No: 1192352-08-1 Catalog No: AG000IF5 MDL No:MFCD19940667
Product Description
Catalog Number:
AG000IF5
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(octyloxy)-
CAS Number:
1192352-08-1
Molecular Formula:
C22H34Br2N2O2S
Molecular Weight:
550.3906
MDL Number:
MFCD19940667
IUPAC Name:
4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole
InChI:
InChI=1S/C22H34Br2N2O2S/c1-3-5-7-9-11-13-15-27-21-17(23)19-20(26-29-25-19)18(24)22(21)28-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
VGCVJZVDAAWTFC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1c(OCCCCCCCC)c(Br)c2c(c1Br)nsn2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.069g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.394g/mol
Monoisotopic Mass:
548.071g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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