Tafamidis Deschloro Impurity

CAT: 1596-AR-T03817-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T03817-01Size:10 Units

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CAS Number

1521571-08-3

Synonyms

6-Benzoxazolecarboxylic acid, 2- (3-chlorophenyl) - (ACI)

Molecular Formula

C14H8ClNO3

Molecular Weight

273.67

API Name

Tafamidis

Chemical Information

2-(3-Chlorophenyl)benzo[d]oxazole-6-carboxylic acid

CAS Number	1521571-08-3
PubChem CID	81358351
IUPAC Name	2-(3-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid
Molecular Formula	C14H8ClNO3
Molecular Weight	273.67
XLogP	3.6
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	352

SMILES

C1=CC(=CC(=C1)Cl)C2=NC3=C(O2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H8ClNO3/c15-10-3-1-2-8(6-10)13-16-11-5-4-9(14(17)18)7-12(11)19-13/h1-7H,(H,17,18)

InChIKey

FFOILGLAFKNCNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1521571-08-3

CID: 81358351

Formula: C14H8ClNO3

MW: 273.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.67
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	273.0192708
Monoisotopic Mass	273.0192708
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	352
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

Catalog	Name
AR-T03926-01	Tafamidis Impurity 1
AR-T03931-01	Tafamidis Impurity 4
AR-T03930-01	Tafamidis Impurity 3
AR-T03929-01	Tafamidis Impurity 2
AR-B07695-01	Brinzolamide Deschloro Impurity
AR-S09539-01	Suvorexant Deschloro Impurity
AR-Z01093-01	Ziprasidone Deschloro Impurity
AR-T03818-01	Tafamidis 2-Hydroxyethylester Impurity
AR-D01157-01	Deschloro Dapagliflozin Impurity
AR-A02953-01	Avanafil Deschloro Impurity