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4-Amino-2,3-dichlorophenol

CAT: 0572-TRC-A604765-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A604765-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39183-17-0
Synonyms
4-Amino-2,3-dichlorophenol;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Nc1ccc(O)c(Cl)c1Cl
Molecular Formula
C6H5Cl2NO
Molecular Weight
178.02
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Amino-2,3-dichlorophenol

See also: 2,3-Di Chloro-4-Hydroxy Aniline (DCHA) (annotation moved to).

CAS Number39183-17-0
PubChem CID9877529
IUPAC Name4-amino-2,3-dichlorophenol
Molecular FormulaC6H5Cl2NO
Molecular Weight178.01
XLogP2.7
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1=CC(=C(C(=C1N)Cl)Cl)O
InChI
InChI=1S/C6H5Cl2NO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H,9H2
InChIKey
OQHWFUQNSLMSBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-2,3-dichlorophenol
CAS: 39183-17-0
CID: 9877529
Formula: C6H5Cl2NO
MW: 178.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.01
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass176.9748192
Monoisotopic Mass176.9748192
Topological Polar Surface Area46.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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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Alternative Products

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sc-4798774-Amino-2,3-dichlorophenol
DBA443572-Amino-4,5-dichlorophenol
233849-015-Amino-2,4-dichlorophenol
sc-2323844-Amino-2,6-dichlorophenol
RG-A130986-014-Amino-3,5-Dichlorophenol
FA70348-016-Amino-2,4-dichlorophenol
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