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8- (2-Bromoethoxy) quinoline hydrobromide

CAT: 0926-JDC14903-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-JDC14903-01Size:50 mg
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CAS Number
1334149-03-9
MDL Number
MFCD19686321
Smiles
C1=CC2=C (C (=C1) OCCBr) N=CC=C2.Br
Molecular Formula
C11H11Br2NO
Molecular Weight
333.02 g/mol
Controlled
No

Chemical Information

8-(2-Bromoethoxy)quinoline hydrobromide
CAS Number1334149-03-9
PubChem CID54594492
IUPAC Name8-(2-bromoethoxy)quinoline;hydrobromide
Molecular FormulaC11H11Br2NO
Molecular Weight333.02
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity177
SMILES
C1=CC2=C(C(=C1)OCCBr)N=CC=C2.Br
InChI
InChI=1S/C11H10BrNO.BrH/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10;/h1-5,7H,6,8H2;1H
InChIKey
BWZIOANFDLQQSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2-Bromoethoxy)quinoline hydrobromide
CAS: 1334149-03-9
CID: 54594492
Formula: C11H11Br2NO
MW: 333.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.02
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass332.91869
Monoisotopic Mass330.92074
Topological Polar Surface Area22.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes