Felbinac Impurity 6

CAT: 1299-RM-F051206-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F051206-01Size:10 mg

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CAS Number

14062-23-8

Synonyms

Ethyl 2- ([1,1'-biphenyl]-4-yl) acetate

Molecular Formula

C16H16O2

Molecular Weight

240.3

Target Alternative Name

Felbinac

Chemical Information

4-Biphenylylacetic acid ethyl ester

Felbinac ethyl is a member of biphenyls.

CAS Number	14062-23-8
PubChem CID	26436
IUPAC Name	ethyl 2-(4-phenylphenyl)acetate
Molecular Formula	C16H16O2
Molecular Weight	240.30
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	248

SMILES

CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3

InChIKey

NPPJLSILDPVHCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14062-23-8

CID: 26436

Formula: C16H16O2

MW: 240.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.30
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	240.115029749
Monoisotopic Mass	240.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	248
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
RM-F051204-01	Felbinac Impurity 4
RM-F051201-01	Felbinac EP Impurity A
RM-F051208-01	Felbinac Impurity 8
RM-F051209-01	Felbinac Impurity 9
RM-F051207-01	Felbinac Impurity 7
RM-F051203-01	Felbinac Impurity 3
RM-F051205-01	Felbinac Impurity 5
RM-F051200-01	Felbinac
RM-F051202-01	Felbinac EP Impurity B; Fenbufen EP Impurity C
RM-I231006-01	Ivacaftor Impurity 6

Catalog	Name
T0888-01	Felbinac
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HY-B0641R-01	Felbinac (Standard)
HY-165497	Felbinac (tris)
A17286-1000	Felbinac 1000mg
A17286-500	Felbinac 500mg
A17286-10mM-D	Felbinac 10mM * 1mL in DMSO
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