4,7-Dibromo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole


Chemical Name: 4,7-Dibromo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazole
CAS Number: 1190978-94-9
Product Number: AG000I6E(AGN-PC-0WAMGW)
Synonyms:
MDL No: MFCD28053756
Molecular Formula: C18H26Br2N2O2S
Molecular Weight: 494.2842

Identification/Properties


Computed Properties
Molecular Weight:
494.286g/mol
XLogP3:
7.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
494.006g/mol
Monoisotopic Mass:
492.008g/mol
Topological Polar Surface Area:
72.5A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
336
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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