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Noradrenaline (Norepinephrine) Impurity 128

CAT: 1299-RM-N153028-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N153028-01Size:10 mg
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CAS Number
54234-59-2
Synonyms
2- (3,4-dihydroxyphenyl) acetyl chloride
Molecular Formula
C8H7ClO3
Molecular Weight
186.59
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
2- (3,4-dihydroxyphenyl) acetyl chloride

Chemical Information

(3,4-Dihydroxyphenyl)acetyl chloride
CAS Number54234-59-2
PubChem CID3016861
IUPAC Name2-(3,4-dihydroxyphenyl)acetyl chloride
Molecular FormulaC8H7ClO3
Molecular Weight186.59
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
C1=CC(=C(C=C1CC(=O)Cl)O)O
InChI
InChI=1S/C8H7ClO3/c9-8(12)4-5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
InChIKey
BUEXVFFGVMTYSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,4-Dihydroxyphenyl)acetyl chloride
CAS: 54234-59-2
CID: 3016861
Formula: C8H7ClO3
MW: 186.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.59
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.0083718
Monoisotopic Mass186.0083718
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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