Dopamine Impurity 48

CAT: 1596-AR-D07520-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07520-01Size:10 Units

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

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CAS Number

102851-70-7

Molecular Formula

C8H10ClNO2

Molecular Weight

187.62

API Name

Dopa

Chemical Information

2-Chlorodopamine

RN given for parent cpd from first source; structure given in first source

CAS Number	102851-70-7
PubChem CID	128212
IUPAC Name	4-(2-aminoethyl)-3-chlorobenzene-1,2-diol
Molecular Formula	C8H10ClNO2
Molecular Weight	187.62
XLogP	1.2
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

C1=CC(=C(C(=C1CCN)Cl)O)O

InChI

InChI=1S/C8H10ClNO2/c9-7-5(3-4-10)1-2-6(11)8(7)12/h1-2,11-12H,3-4,10H2

InChIKey

QJFLNNIHWWVCFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 102851-70-7

CID: 128212

Formula: C8H10ClNO2

MW: 187.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.62
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	187.0400063
Monoisotopic Mass	187.0400063
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes