BU 239 hydrochloride

CAT: 0024-sc-203859Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203859Size:10 mg

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CAS Number

1217041-98-9

Chemical Information

BU 239 Hydrochloride

CAS Number	1217041-98-9
PubChem CID	56846046
IUPAC Name	2-(4,5-dihydro-1H-imidazol-2-yl)quinoxaline;hydrochloride
Molecular Formula	C11H11ClN4
Molecular Weight	234.68
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	263

SMILES

C1CN=C(N1)C2=NC3=CC=CC=C3N=C2.Cl

InChI

InChI=1S/C11H10N4.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H

InChIKey

NQMMIEICYUXMKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1217041-98-9

CID: 56846046

Formula: C11H11ClN4

MW: 234.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.68
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	234.0672241
Monoisotopic Mass	234.0672241
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	263
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	2
Compound Is Canonicalized	Yes

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