ErSO

CAT: 0127-BUP12912-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12912-02Size:5 mg

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CAS Number

2407860-35-7

Purity

=98%

Smiles

Oc1ccc(cc1)[C@@]1(C(=O)Nc2c1cccc2C(F)(F)F)c1ccc(OC(F)(F)F)cc1

Chemical Information

(R)-3-(4-Hydroxyphenyl)-3-(4-(trifluoromethoxy)phenyl)-7-(trifluoromethyl)indolin-2-one

CAS Number	2407860-35-7
PubChem CID	149494442
IUPAC Name	(3R)-3-(4-hydroxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1H-indol-2-one
Molecular Formula	C22H13F6NO3
Molecular Weight	453.3
XLogP	5.7
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	682

SMILES

C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)[C@]2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H13F6NO3/c23-21(24,25)17-3-1-2-16-18(17)29-19(31)20(16,12-4-8-14(30)9-5-12)13-6-10-15(11-7-13)32-22(26,27)28/h1-11,30H,(H,29,31)/t20-/m1/s1

InChIKey

ZFSRXAHDJSCEDS-HXUWFJFHSA-N

Chemical Structure

2D Structure

CAS: 2407860-35-7

CID: 149494442

Formula: C22H13F6NO3

MW: 453.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	453.3
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	453.07996225
Monoisotopic Mass	453.07996225
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	682
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

Alternative Products

Catalog	Name
HWD86040-01	(±) -ErSO
HWD86035-01	Erso
MBS5785600	(+/-)-ErSO
HY-144070-01	ErSO-DFP
T205320-01	ErSO-TFPy
GTR19171479-01	(S) -ErSO
MBS3616805-01	(S)-ErSO

ErSO

Chemical Information

Alternative Products

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