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2,4-Dichloro-5-nitrophenol

CAT: 0572-TRC-D432070-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D432070-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39489-77-5
Hazard Statement
No Data Available
Smiles
O=[N](C(C=C(O)C(Cl)=C1)=C1Cl)=O
Molecular Formula
C6H3Cl2NO3
Molecular Weight
208
InChI
InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H
Additionnal Information
IUPAC name: 2,4-dichloro-5-nitrophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenol, 2,4-dichloro-5-nitro-
CAS Number39489-77-5
PubChem CID181635
IUPAC Name2,4-dichloro-5-nitrophenol
Molecular FormulaC6H3Cl2NO3
Molecular Weight208.00
XLogP2.5
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity184
SMILES
C1=C(C(=CC(=C1O)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H
InChIKey
OFAPWTOOMSVMIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 2,4-dichloro-5-nitro-
CAS: 39489-77-5
CID: 181635
Formula: C6H3Cl2NO3
MW: 208.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.00
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass206.9489983
Monoisotopic Mass206.9489983
Topological Polar Surface Area66.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity184
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

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FAA84757-012,5-Dichloro-4-nitrophenol
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OR8241-012,4-Dichloro-5-nitrophenol
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273464-012,4-Dichloro-6-nitrophenol
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FD152754-012,4-Dichloro-3-nitrophenol
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