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1190978-93-8 | 2,1,3-Benzothiadiazole, 5,6-bis(hexyloxy)-
CAS No: 1190978-93-8 Catalog No: AG000I6F MDL No:
Product Description
Catalog Number:
AG000I6F
Chemical Name:
2,1,3-Benzothiadiazole, 5,6-bis(hexyloxy)-
CAS Number:
1190978-93-8
Molecular Formula:
C18H28N2O2S
Molecular Weight:
336.4921
IUPAC Name:
5,6-dihexoxy-2,1,3-benzothiadiazole
InChI:
InChI=1S/C18H28N2O2S/c1-3-5-7-9-11-21-17-13-15-16(20-23-19-15)14-18(17)22-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
HEPDCSZQOKDHOR-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc2nsnc2cc1OCCCCCC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.187g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.494g/mol
Monoisotopic Mass:
336.187g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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