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Home > Bromides > 1192352-10-5
1192352-10-5 | 2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-5,6-bis(octyloxy)-
CAS No: 1192352-10-5 Catalog No: AG000IF4 MDL No:MFCD26743666
Product Description
Catalog Number:
AG000IF4
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-5,6-bis(octyloxy)-
CAS Number:
1192352-10-5
Molecular Formula:
C30H38Br2N2O2S3
Molecular Weight:
714.6379
MDL Number:
MFCD26743666
IUPAC Name:
4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole
InChI:
InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
InChI Key:
QNBPEQCRDXBBCR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1c(c2ccc(s2)Br)c2nsnc2c(c1OCCCCCCCC)c1ccc(s1)Br
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.044g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
714.634g/mol
Monoisotopic Mass:
712.046g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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