8- (Bromoacetyl) quinoline

CAT: 0127-OR17843Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR17843Size:1 Each

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CAS Number

860113-88-8

Synonyms

2-Bromo-1-quinolin-8-ylethan-1-one

MDL Number

MFCD08062408

Purity

=95%

Smiles

BrCC(=O)c1cccc2cccnc12

Chemical Information

2-Bromo-1-(quinolin-8-yl)ethan-1-one

CAS Number	860113-88-8
PubChem CID	14742523
IUPAC Name	2-bromo-1-quinolin-8-ylethanone
Molecular Formula	C11H8BrNO
Molecular Weight	250.09
XLogP	2.3
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

C1=CC2=C(C(=C1)C(=O)CBr)N=CC=C2

InChI

InChI=1S/C11H8BrNO/c12-7-10(14)9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2

InChIKey

NCVOFLIRNPFPSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 860113-88-8

CID: 14742523

Formula: C11H8BrNO

MW: 250.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.09
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	248.97893
Monoisotopic Mass	248.97893
Topological Polar Surface Area	30 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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

Catalog	Name
261949-01	8- (Bromoacetyl) quinoline HBr
sc-239416A	Bromoacetyl bromide
sc-227524	Bromoacetyl chloride
T17705-01	Bromoacetyl-PEG3-DBCO
004605	5- (Bromoacetyl) salicylaldehyde
TRC-B679340-1G	5-(Bromoacetyl)salicylaldehyde
FB31500-01	2-Bromoacetyl bromide
BAA46882	3- (Bromoacetyl) thiophene
TRC-C242940-1MG	Cefotaxime Bromoacetyl Analogue
sc-212163	N-Bromoacetyl-β-alanine