CGS8216

CAT: 0127-BUP03475-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03475-03Size:25 mg

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

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CAS Number

77779-60-3

Synonyms

CGS 8216, CGS-8216

Purity

=98%

Smiles

O=C1C2=CNC=3C=CC=CC3C2=NN1C=4C=CC=CC4

Chemical Information

(3H)Cgs8216

CAS Number	77779-60-3
PubChem CID	104916
IUPAC Name	2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Molecular Formula	C16H11N3O
Molecular Weight	261.28
XLogP	3.2
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	380

SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3

InChI

InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H

InChIKey

XTYGFVVANLMBHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77779-60-3

CID: 104916

Formula: C16H11N3O

MW: 261.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.28
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	261.090211983
Monoisotopic Mass	261.090211983
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	380
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
T27001-01	CGS8216