Bromophenol Red sodium salt

CAT: 0024-sc-293960Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293960Size:5 g

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CAS Number

102185-50-2

Chemical Information

bromophenol red sodium salt

CAS Number	102185-50-2
PubChem CID	86810476
IUPAC Name	sodium 2-[(Z)-(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Molecular Formula	C19H11Br2NaO5S
Molecular Weight	534.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	800

SMILES

C1=CC=C(C(=C1)/C(=C\2/C=CC(=O)C(=C2)Br)/C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H12Br2O5S.Na/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26;/h1-10,22H,(H,24,25,26);/q;+1/p-1/b19-12-;

InChIKey

OPPKOKMTIKOIHJ-JHMJKTBASA-M

Chemical Structure

2D Structure

CAS: 102185-50-2

CID: 86810476

Formula: C19H11Br2NaO5S

MW: 534.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	534.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	533.85711
Monoisotopic Mass	531.85916
Topological Polar Surface Area	103 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-214633	Bromophenol blue sodium salt
sc-214633A	Bromophenol blue sodium salt
sc-293959A	Bromophenol Red
sc-293959	Bromophenol Red
sc-206055	Methyl Red sodium salt
sc-206055A	Methyl Red sodium salt
sc-206055C	Methyl Red sodium salt
sc-214683	Chlorophenol Red sodium salt
sc-206017A	Phenol Red Sodium Salt
sc-206034	Cresol red sodium salt

Catalog	Name
40240016-3	Bromophenol Blue Sodium Salt
21770051-3	Bromophenol Red Sodium Salt
MBS4156363-01	Bromophenol Blue, Sodium Salt
2147GR010	Bromophenol blue sodium salt for electrophoresis
40220103-3	Bromophenol Blue Sodium Salt, 0.04%