Lusutrombopag Impurity 6

CAT: 1299-RM-L368006-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L368006-01Size:10 mg

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CAS Number

952103-45-6

Synonyms

(S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol

Molecular Formula

C9H11BrO2

Molecular Weight

231.09

Target Alternative Name

Lusutrombopag

Product Name Synonym

(S) -1- (3-bromo-2-methoxyphenyl) ethan-1-ol

Chemical Information

(S)-1-(3-Bromo-2-methoxyphenyl)ethanol

CAS Number	952103-45-6
PubChem CID	59544886
IUPAC Name	(1S)-1-(3-bromo-2-methoxyphenyl)ethanol
Molecular Formula	C9H11BrO2
Molecular Weight	231.09
XLogP	2.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

C[C@@H](C1=C(C(=CC=C1)Br)OC)O

InChI

InChI=1S/C9H11BrO2/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-6,11H,1-2H3/t6-/m0/s1

InChIKey

VCOGPOSOMAJBNU-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 952103-45-6

CID: 59544886

Formula: C9H11BrO2

MW: 231.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.09
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	229.99424
Monoisotopic Mass	229.99424
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes