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4-Chloro-3-nitrophenol

CAT: 0572-TRC-C374595-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C374595-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
610-78-6
Synonyms
2-Chloro-5-hydroxynitrobenzene; 3-Nitro-4-chlorophenol; NSC 211001;
Hazard Statement
No Data Available
Smiles
Oc1ccc(Cl)c(c1)[N+](=O)[O-]
Molecular Formula
C6H4ClNO3
Molecular Weight
173.55
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro-3-nitrophenol
CAS Number610-78-6
PubChem CID69127
IUPAC Name4-chloro-3-nitrophenol
Molecular FormulaC6H4ClNO3
Molecular Weight173.55
XLogP1.9
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
JUIKCULGDIZNDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-3-nitrophenol
CAS: 610-78-6
CID: 69127
Formula: C6H4ClNO3
MW: 173.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.55
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.9879707
Monoisotopic Mass172.9879707
Topological Polar Surface Area66.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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AAA610784-Chloro-3-nitrophenol
sc-4822743-Chloro-4-nitrophenol
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