4-Bromo-2,6-dichlorophenol

CAT: 0127-OR480798-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR480798-01Size:1 g

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CAS Number

3217-15-0

MDL Number

MFCD00019996

Purity

97%

Smiles

Oc1c(Cl)cc(Br)cc1Cl

Chemical Information

4-Bromo-2,6-dichlorophenol

CAS Number	3217-15-0
PubChem CID	18587
IUPAC Name	4-bromo-2,6-dichlorophenol
Molecular Formula	C6H3BrCl2O
Molecular Weight	241.89
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

C1=C(C=C(C(=C1Cl)O)Cl)Br

InChI

InChI=1S/C6H3BrCl2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

KGURSDWHGSLAPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3217-15-0

CID: 18587

Formula: C6H3BrCl2O

MW: 241.89

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.89
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	239.87443
Monoisotopic Mass	239.87443
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
sc-307016	2-Bromo-4,6-dichlorophenol
sc-322970	4-Bromo-2,6-dichlorophenol
NCA86291-01	2-Bromo-3,6-dichlorophenol
430880-01	4-Bromo-2,3-dichlorophenol
TRC-B687920-5G	4-Bromo-2,5-dichlorophenol
sc-310991A	4-Bromo-O- (t-butyldimethylsilyl) -2,6-dichlorophenol
sc-232384	4-Amino-2,6-dichlorophenol
sc-335051	2-Amino-4,6-dichlorophenol
901009	4‐AMINO‐2,6‐DICHLOROPHENOL
FA70348-01	6-Amino-2,4-dichlorophenol