BC 11 hydrobromide 1mg

CAT: 0628-A15325-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A15325-1Size:1 mg

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CAS Number

443776-49-6

Chemical Information

BC 11 hydrobromide

CAS Number	443776-49-6
PubChem CID	78243712
IUPAC Name	[4-(carbamimidoylsulfanylmethyl)phenyl]boronic acid;hydrobromide
Molecular Formula	C8H12BBrN2O2S
Molecular Weight	290.98
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	196

SMILES

B(C1=CC=C(C=C1)CSC(=N)N)(O)O.Br

InChI

InChI=1S/C8H11BN2O2S.BrH/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13;/h1-4,12-13H,5H2,(H3,10,11);1H

InChIKey

PAFZAMOVHIRQOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 443776-49-6

CID: 78243712

Formula: C8H12BBrN2O2S

MW: 290.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.98
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	289.98959
Monoisotopic Mass	289.98959
Topological Polar Surface Area	116 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	196
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	2
Compound Is Canonicalized	Yes

Catalog	Name
A15325-5	BC 11 hydrobromide 5mg
A15325-50	BC 11 hydrobromide 50mg
A15325-25	BC 11 hydrobromide 25mg
A15325-10	BC 11 hydrobromide 10mg
A15325-100	BC 11 hydrobromide 100mg
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A19142-1	MitoTam bromide, hydrobromide 1mg
A20159-1	MMG-11 1mg

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