Conoidin A 50mg

CAT: 0628-A22167-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A22167-50Size:50 mg

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CAS Number

18080-67-6

Chemical Information

2,3-Bis(bromomethyl)quinoxaline-1,4-dioxide

structure in first source

CAS Number	18080-67-6
PubChem CID	511509
IUPAC Name	2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
Molecular Formula	C10H8Br2N2O2
Molecular Weight	347.99
XLogP	1.1
Topological Polar Surface Area	46.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	303

SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]

InChI

InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2

InChIKey

DQKNFTLRMZOAMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18080-67-6

CID: 511509

Formula: C10H8Br2N2O2

MW: 347.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.99
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	347.89320
Monoisotopic Mass	345.89525
Topological Polar Surface Area	46.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	303
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

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