2,3,9,10-tetrabromo-6,13-dioctyl-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2,3,9,10-tetrabromo-6,13-dioctyl-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

CAS: 954374-43-7

Formula: C30H34Br4N2O4

SMILES: CCCCCCCCN1C(=O)C2=C(Br)C(Br)=C3C(=O)N(CCCCCCCC)C(=O)C4=C3C2=C(C(Br)=C4Br)C1=O

IUPAC: 2,3,9,10-tetrabromo-6,13-dioctyl-6,13-diazatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

InChI: InChI=1S/C30H34Br4N2O4/c1-3-5-7-9-11-13-15-35-27(37)19-17-18-21(25(33)23(19)31)29(39)36(16-14-12-10-8-6-4-2)30(40)22(18)26(34)24(32)20(17)28(35)38/h3-16H2,1-2H3

Composition: C (44.69%), H (4.25%), Br (39.64%), N (3.47%), O (7.94%)

Molar Mass: 806.228

Atom Count: 74

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	801.92521
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UNEXNPKMEOJLCQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	173.86
Topological Polar Surface Area	74.76
Polarizability	66.41
Ring Count	4
Rotatable Bond Count	14

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