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

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

CAS: 1313876-00-4

Formula: C30H50Br2N2O2S

SMILES: CCCCCCCCCCCCOC1=C(Br)C2=NSN=C2C(Br)=C1OCCCCCCCCCCCC

IUPAC: 4,7-dibromo-5,6-bis(dodecyloxy)-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

Composition: C (54.38%), H (7.61%), Br (24.12%), N (4.23%), O (4.83%), S (4.84%)

Molar Mass: 662.61

Atom Count: 87

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	660.195976
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DVDXEQCMUYXONV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	166.08
Topological Polar Surface Area	44.24
Polarizability	65.78
Ring Count	2
Rotatable Bond Count	24

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