A3373

CAT: 0127-PC1006514-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006514-02Size:25 mg

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

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CAS Number

2324948-66-3

Purity

98%

Smiles

O=C(C(N1)=CC2=C1C=CC(F)=C2)NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

Chemical Information

N-(3,5-bis(trifluoromethyl)phenyl)-5-fluoro-1H-indole-2-carboxamide

CAS Number	2324948-66-3
PubChem CID	170716780
IUPAC Name	N-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1H-indole-2-carboxamide
Molecular Formula	C17H9F7N2O
Molecular Weight	390.25
XLogP	5.1
Topological Polar Surface Area	44.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	528

SMILES

C1=CC2=C(C=C1F)C=C(N2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F7N2O/c18-11-1-2-13-8(3-11)4-14(26-13)15(27)25-12-6-9(16(19,20)21)5-10(7-12)17(22,23)24/h1-7,26H,(H,25,27)

InChIKey

PJRXCSGWZDFONX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2324948-66-3

CID: 170716780

Formula: C17H9F7N2O

MW: 390.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	390.25
XLogP3	5.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	390.06031005
Monoisotopic Mass	390.06031005
Topological Polar Surface Area	44.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	528
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
GTR19217485-01	A3373