TBB 50mg

CAT: 0628-A15257-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A15257-50Size:50 mg

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CAS Number

17374-26-4

Chemical Information

4,5,6,7-Tetrabromobenzotriazole

a CK2 kinase inhibitor

CAS Number	17374-26-4
PubChem CID	1694
IUPAC Name	4,5,6,7-tetrabromo-2H-benzotriazole
Molecular Formula	C6HBr4N3
Molecular Weight	434.71
XLogP	3.8
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

C1(=C(C2=NNN=C2C(=C1Br)Br)Br)Br

InChI

InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)

InChIKey

OMZYUVOATZSGJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17374-26-4

CID: 1694

Formula: C6HBr4N3

MW: 434.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	434.71
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	434.68630
Monoisotopic Mass	430.69040
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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

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