3-Bromo-2-cyclobutoxypyridine

CAT: 0926-ZZB08473-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ZZB08473-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1249084-73-8

MDL Number

MFCD16684658

Smiles

C1CC (C1) OC2=C (C=CC=N2) Br

Molecular Formula

C9H10BrNO

Molecular Weight

228.09 g/mol

Controlled

Chemical Information

3-Bromo-2-cyclobutoxypyridine

CAS Number	1249084-73-8
PubChem CID	53621877
IUPAC Name	3-bromo-2-cyclobutyloxypyridine
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	2.8
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

C1CC(C1)OC2=C(C=CC=N2)Br

InChI

InChI=1S/C9H10BrNO/c10-8-5-2-6-11-9(8)12-7-3-1-4-7/h2,5-7H,1,3-4H2

InChIKey

FFKOZSRDMOJHEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249084-73-8

CID: 53621877

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.99458
Monoisotopic Mass	226.99458
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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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