Bromopyrogallol Red AR

CAT: 1278-00513 00005Size: 5 gDry Ice: NoHazardous: No

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CAT#:1278-00513 00005Size:5 g

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CAS Number

16574-43-9

HS Code

29322090

Packaging Group

Chemical Information

Bromopyrogallol Red

CAS Number	16574-43-9
PubChem CID	85495
IUPAC Name	2',7'-dibromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
Molecular Formula	C19H10Br2O8S
Molecular Weight	558.2
XLogP	3.5
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	30
Formal Charge	0
Complexity	756

SMILES

C1=CC=C2C(=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)O)O)O)Br)OS2(=O)=O

InChI

InChI=1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H

InChIKey

QFXYYBXMARTXHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16574-43-9

CID: 85495

Formula: C19H10Br2O8S

MW: 558.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	558.2
XLogP3	3.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	557.84426
Monoisotopic Mass	555.84631
Topological Polar Surface Area	142 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	756
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

Catalog	Name
GTR19345941-01	Bromopyrogallol red
51300001	Bromopyrogallol Red AR
42888-01	Bromopyrogallol Red extrapure AR