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UBCS039

CAT: 0127-BUP07593-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07593-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
358721-70-7
Purity
=98%
Smiles
N1C(c2cccn2-c2ccccc12)c1cccnc1

Chemical Information

4-(Pyridin-3-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline
CAS Number358721-70-7
PubChem CID2803797
IUPAC Name4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
Molecular FormulaC16H13N3
Molecular Weight247.29
XLogP2.5
Topological Polar Surface Area29.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity319
SMILES
C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4
InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
InChIKey
BSOBGTYXYGHUTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Pyridin-3-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline
CAS: 358721-70-7
CID: 2803797
Formula: C16H13N3
MW: 247.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass247.110947427
Monoisotopic Mass247.110947427
Topological Polar Surface Area29.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA3597-1UBCS039
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A18961-10UBCS039 10mg
A18961-200UBCS039 200mg
A18961-100UBCS039 100mg
A18961-25UBCS039 25mg
A18961-1UBCS039 1mg
A18961-50UBCS039 50mg

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