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Noradrenaline (Norepinephrine) Impurity 90

CAT: 1299-RM-N151890-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151890-01Size:10 mg
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CAS Number
14771-02-9
Synonyms
2-chloro-1- (2,4,5-trihydroxyphenyl) ethan-1-one
Molecular Formula
C8H7ClO4
Molecular Weight
202.59
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
2-chloro-1- (2,4,5-trihydroxyphenyl) ethan-1-one

Chemical Information

Norepinephrine Impurity 23
CAS Number14771-02-9
PubChem CID129835010
IUPAC Name2-chloro-1-(2,4,5-trihydroxyphenyl)ethanone
Molecular FormulaC8H7ClO4
Molecular Weight202.59
XLogP1.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity197
SMILES
C1=C(C(=CC(=C1O)O)O)C(=O)CCl
InChI
InChI=1S/C8H7ClO4/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2,10-12H,3H2
InChIKey
FPHUGJRDNMGIHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Norepinephrine Impurity 23
CAS: 14771-02-9
CID: 129835010
Formula: C8H7ClO4
MW: 202.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.59
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass202.0032864
Monoisotopic Mass202.0032864
Topological Polar Surface Area77.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
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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