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Dichlororesorcinol

CAT: 0572-TRC-D436245-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D436245-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137-19-9
Synonyms
1,5-Dichloro-2,4-dihydroxybenzene; 4,6-Dichloro-1,3-benzenediol; 4,6-Dichlororesorcin; 4,6-Dichlororesorcinol; NSC 60650
Hazard Statement
Causes skin irritation.
Purity
>95% (GC)
Smiles
Oc1cc(O)c(Cl)cc1Cl
Molecular Formula
C6H4Cl2O2
Molecular Weight
179
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

1,3-Benzenediol, 4,6-dichloro-
CAS Number137-19-9
PubChem CID67299
IUPAC Name4,6-dichlorobenzene-1,3-diol
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00
XLogP2.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C1=C(C(=CC(=C1O)Cl)Cl)O
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H
InChIKey
GRLQBYQELUWBIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzenediol, 4,6-dichloro-
CAS: 137-19-9
CID: 67299
Formula: C6H4Cl2O2
MW: 179.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.00
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass177.9588348
Monoisotopic Mass177.9588348
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
163769Dichlororesorcinol
AAA137194,6-Dichlororesorcinol
GW3317-50g2,4-Dichlororesorcinol

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