Bromophenol Red

CAT: 1489-B8250Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-B8250Size:5 g

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CAS Number

2800-80-8

Chemical Information

Bromophenol Red

RN given refers to unlabeled parent cpd

CAS Number	2800-80-8
PubChem CID	76047
IUPAC Name	2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Molecular Formula	C19H12Br2O5S
Molecular Weight	512.2
XLogP	4.4
Topological Polar Surface Area	92.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	625

SMILES

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

InChI

InChI=1S/C19H12Br2O5S/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)26-19/h1-10,22-23H

InChIKey

OYCLSQDXZMROJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2800-80-8

CID: 76047

Formula: C19H12Br2O5S

MW: 512.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	512.2
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	511.87517
Monoisotopic Mass	509.87722
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	625
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