2,3-Dichloro-6-fluorophenol

CAT: 0127-PC302430-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC302430-01Size:1 g

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CAS Number

886497-60-5

MDL Number

MFCD04115876

Purity

98%

Smiles

Oc1c(F)ccc(Cl)c1Cl

Chemical Information

2,3-Dichloro-6-fluorophenol

CAS Number	886497-60-5
PubChem CID	4404940
IUPAC Name	2,3-dichloro-6-fluorophenol
Molecular Formula	C6H3Cl2FO
Molecular Weight	180.99
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=CC(=C(C(=C1F)O)Cl)Cl

InChI

InChI=1S/C6H3Cl2FO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H

InChIKey

ODZXPXPRCGLXRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 886497-60-5

CID: 4404940

Formula: C6H3Cl2FO

MW: 180.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.99
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	179.9544983
Monoisotopic Mass	179.9544983
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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
PC1024055	2,6-Dichloro-3-fluorophenol
PC302275-01	3,6-Dichloro-2-fluorophenol
PC2433-01	2,6-Dichloro-4-fluorophenol
PC50442-01	2,4-Dichloro-6-fluorophenol
PC1005986	3-Bromo-2,6-dichloro-4-fluorophenol
PC1025738	3,5-Dichloro-2-fluorophenol
PC1024063	2,3-Dichloro-5-fluorophenol
PC1022963	2,5-Dichloro-3-fluorophenol
PC1022364-01	3,4-Dichloro-2-fluorophenol
PC1025137	2,4-Dichloro-3-fluorophenol