Lusutrombopag Impurity 46

CAT: 1299-RM-L368046-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L368046-01Size:10 mg

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

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CAS Number

153203-80-6

Synonyms

3,5-dichloro-4-formylbenzoic acid

Molecular Formula

C8H4Cl2O3

Molecular Weight

219.02

Target Alternative Name

Lusutrombopag

Chemical Information

3,5-Dichloro-4-formylbenzoic acid

CAS Number	153203-80-6
PubChem CID	19788159
IUPAC Name	3,5-dichloro-4-formylbenzoic acid
Molecular Formula	C8H4Cl2O3
Molecular Weight	219.02
XLogP	2.2
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	207

SMILES

C1=C(C=C(C(=C1Cl)C=O)Cl)C(=O)O

InChI

InChI=1S/C8H4Cl2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)

InChIKey

KNZHVHRJCNWQKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153203-80-6

CID: 19788159

Formula: C8H4Cl2O3

MW: 219.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.02
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	217.9537494
Monoisotopic Mass	217.9537494
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207
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