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4-Amino-3-chlorophenol

CAT: 0572-TRC-A601735-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A601735-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17609-80-2
Synonyms
3-Chloro-4-aminophenol;
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1ccc(O)cc1Cl
Molecular Formula
C6H6ClNO
Molecular Weight
143.57
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Amino-3-chlorophenol

structure given in first source

CAS Number17609-80-2
PubChem CID87184
IUPAC Name4-amino-3-chlorophenol
Molecular FormulaC6H6ClNO
Molecular Weight143.57
XLogP1.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1O)Cl)N
InChI
InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey
PNLPXABQLXSICH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-3-chlorophenol
CAS: 17609-80-2
CID: 87184
Formula: C6H6ClNO
MW: 143.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.57
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass143.0137915
Monoisotopic Mass143.0137915
Topological Polar Surface Area46.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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