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Elacestrant Impurity 8

CAT: 1299-RM-E556008-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E556008-02Size:25 mg
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CAS Number
2477812-39-6
Synonyms
(R) -6- (2-amino-4-methoxyphenyl) -5,6,7,8-tetrahydronaphthalen-2-ol
Molecular Formula
C17H19NO2
Molecular Weight
269.34
Target Alternative Name
Elacestrant
Product Name Synonym
(R) -6- (2-amino-4-methoxyphenyl) -5,6,7,8-tetrahydronaphthalen-2-ol

Chemical Information

(2R)-2-(2-Amino-4-methoxy-phenyl)tetralin-6-OL
CAS Number2477812-39-6
PubChem CID154681612
IUPAC Name(6R)-6-(2-amino-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular FormulaC17H19NO2
Molecular Weight269.34
XLogP3.4
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity322
SMILES
COC1=CC(=C(C=C1)[C@@H]2CCC3=C(C2)C=CC(=C3)O)N
InChI
InChI=1S/C17H19NO2/c1-20-15-6-7-16(17(18)10-15)13-3-2-12-9-14(19)5-4-11(12)8-13/h4-7,9-10,13,19H,2-3,8,18H2,1H3/t13-/m1/s1
InChIKey
OJMLYDYFNMROGU-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-(2-Amino-4-methoxy-phenyl)tetralin-6-OL
CAS: 2477812-39-6
CID: 154681612
Formula: C17H19NO2
MW: 269.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.34
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass269.141578849
Monoisotopic Mass269.141578849
Topological Polar Surface Area55.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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