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Home Halogens 2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(dodecyloxy)-

2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(dodecyloxy)-

CAS No.:
1313876-00-4
Catalog Number:
AG000W2B
Molecular Formula:
C30H50Br2N2O2S
Molecular Weight:
662.6032
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Product Description
Catalog Number:
AG000W2B
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-bis(dodecyloxy)-
CAS Number:
1313876-00-4
Molecular Formula:
C30H50Br2N2O2S
Molecular Weight:
662.6032
MDL Number:
MFCD27923049
IUPAC Name:
4,7-dibromo-5,6-didodecoxy-2,1,3-benzothiadiazole
InChI:
InChI=1S/C30H50Br2N2O2S/c1-3-5-7-9-11-13-15-17-19-21-23-35-29-25(31)27-28(34-37-33-27)26(32)30(29)36-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChI Key:
DVDXEQCMUYXONV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)c(Br)c2c(c1Br)nsn2
Properties
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.194g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.61g/mol
Monoisotopic Mass:
660.196g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3  
Properties