IQ-3

CAT: 0127-BUP04228-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04228-02Size:5 mg

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

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CAS Number

312538-03-7

Purity

=98%

Smiles

O=C(ON=C1c2ccccc2-c2nc3ccccc3nc12)c1ccco1

Chemical Information

[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino] furan-2-carboxylate

CAS Number	312538-03-7
PubChem CID	5405540
IUPAC Name	[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino] furan-2-carboxylate
Molecular Formula	C20H11N3O3
Molecular Weight	341.3
XLogP	4.1
Topological Polar Surface Area	77.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	581

SMILES

C1=CC=C\2C(=C1)C3=NC4=CC=CC=C4N=C3/C2=N/OC(=O)C5=CC=CO5

InChI

InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18+

InChIKey

WBSWWONMTZEOGS-PTGBLXJZSA-N

Chemical Structure

2D Structure

CAS: 312538-03-7

CID: 5405540

Formula: C20H11N3O3

MW: 341.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	341.08004122
Monoisotopic Mass	341.08004122
Topological Polar Surface Area	77.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP13506-01	IQ 1
BISN0275	IQ 1S
BUP13502-01	IQ-1S free acid
BISN0214-01	IQ-1S free acid
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide