Dopamine Impurity 20

CAT: 1596-AR-D07554-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07554-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2228475-70-3

Molecular Formula

C8H9ClO3

Molecular Weight

188.61

API Name

Dopa

Chemical Information

3-(2-Chloro-1-hydroxyethyl)benzene-1,2-diol

CAS Number	2228475-70-3
PubChem CID	165794074
IUPAC Name	3-(2-chloro-1-hydroxyethyl)benzene-1,2-diol
Molecular Formula	C8H9ClO3
Molecular Weight	188.61
XLogP	1.5
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	142

SMILES

C1=CC(=C(C(=C1)O)O)C(CCl)O

InChI

InChI=1S/C8H9ClO3/c9-4-7(11)5-2-1-3-6(10)8(5)12/h1-3,7,10-12H,4H2

InChIKey

MMLLGORCLLZXSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2228475-70-3

CID: 165794074

Formula: C8H9ClO3

MW: 188.61

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	188.61
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	188.0240218
Monoisotopic Mass	188.0240218
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes