Robenacoxib Impurity D

CAT: 1596-AR-R11231-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11231-02Size:25 Units

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CAS Number

220991-61-7

Synonyms

5-ethyl-1- (2,3,5,6-tetrafluorophenyl) indolin-2-one

Molecular Formula

C16H11F4NO

Molecular Weight

309.26

API Name

Robenacoxib

Chemical Information

5-Ethyl-1,3-dihydro-1-(2,3,5,6-tetrafluorophenyl)-2H-indol-2-one

CAS Number	220991-61-7
PubChem CID	21938652
IUPAC Name	5-ethyl-1-(2,3,5,6-tetrafluorophenyl)-3H-indol-2-one
Molecular Formula	C16H11F4NO
Molecular Weight	309.26
XLogP	3.7
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	420

SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C(=CC(=C3F)F)F)F

InChI

InChI=1S/C16H11F4NO/c1-2-8-3-4-12-9(5-8)6-13(22)21(12)16-14(19)10(17)7-11(18)15(16)20/h3-5,7H,2,6H2,1H3

InChIKey

DZTYHNMGAJRMOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220991-61-7

CID: 21938652

Formula: C16H11F4NO

MW: 309.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.26
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	309.07767662
Monoisotopic Mass	309.07767662
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	420
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-R11230-01	Robenacoxib Impurity 1
AR-R11232-01	Robenacoxib Impurity 3
AR-R11234-01	Robenacoxib
AR-R11229-01	Robenacoxib-d5
AR-R11233-01	N-Nitroso Robenacoxib
AR-C07346-01	Colchicine Impurity D (Thiocolchicoside EP Impurity D)
AR-D01686-01	Dibucaine Impurity D (Cinchocaine EP Impurity D)
AR-T02873-01	Tretinoin EP Impurity D (Isotretinoin EP Impurity D)
AR-L01065-01	Lafutidine Impurity D
AR-G01108-01	Ganciclovir Impurity D

Catalog	Name
RM-R232001-01	Robenacoxib Impurity 1
FR101964-01	Robenacoxib
BA5941-1	Robenacoxib (Standard)
CS-O-35332	Robenacoxib-d5
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)