GS967

CAT: 0127-BUP15360-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15360-01Size:5 mg

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

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CAS Number

1262618-39-2

Synonyms

GS458967

Purity

=98%

Smiles

FC(F)(F)Oc1ccc(cc1)-c1ccc2nnc(n2c1)C(F)(F)F

Chemical Information

GS-458967

CAS Number	1262618-39-2
PubChem CID	58118983
IUPAC Name	6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Molecular Formula	C14H7F6N3O
Molecular Weight	347.21
XLogP	4.9
Topological Polar Surface Area	39.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	435

SMILES

C1=CC(=CC=C1C2=CN3C(=NN=C3C(F)(F)F)C=C2)OC(F)(F)F

InChI

InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H

InChIKey

FEVBKJITJDHASC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1262618-39-2

CID: 58118983

Formula: C14H7F6N3O

MW: 347.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.21
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	347.04933083
Monoisotopic Mass	347.04933083
Topological Polar Surface Area	39.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	435
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