3-Bromoacetylpyridine, hydrobromide

CAT: 0926-FB19197Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FB19197Size:100 g

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CAS Number

17694-68-7

Synonyms

2-Bromo-1- (3-pyridinyl) ethanone hydrobromide

MDL Number

MFCD00052182

Smiles

C1=CC (=CN=C1) C (=O) CBr.Br

Molecular Formula

C7H7Br2NO

Molecular Weight

280.94 g/mol

Controlled

Chemical Information

3-(2-Bromoacetyl)pyridine hydrobromide

CAS Number	17694-68-7
PubChem CID	2776234
IUPAC Name	2-bromo-1-pyridin-3-ylethanone;hydrobromide
Molecular Formula	C7H7Br2NO
Molecular Weight	280.94
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	127

SMILES

C1=CC(=CN=C1)C(=O)CBr.Br

InChI

InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H

InChIKey

WDTSYONULAZKIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17694-68-7

CID: 2776234

Formula: C7H7Br2NO

MW: 280.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.94
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	280.88739
Monoisotopic Mass	278.88944
Topological Polar Surface Area	30 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	127
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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