3-Bromo-2-cyclobutylpyridine

CAT: 0127-OR1033609-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033609-01Size:100 mg

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CAS Number

1417518-98-9

Purity

98%

Smiles

BrC1=C(N=CC=C1)C1CCC1

Chemical Information

3-Bromo-2-cyclobutylpyridine

CAS Number	1417518-98-9
PubChem CID	70641671
IUPAC Name	3-bromo-2-cyclobutylpyridine
Molecular Formula	C9H10BrN
Molecular Weight	212.09
XLogP	2.7
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

C1CC(C1)C2=C(C=CC=N2)Br

InChI

InChI=1S/C9H10BrN/c10-8-5-2-6-11-9(8)7-3-1-4-7/h2,5-7H,1,3-4H2

InChIKey

IKRIBIBHDPCGRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1417518-98-9

CID: 70641671

Formula: C9H10BrN

MW: 212.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.09
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	210.99966
Monoisotopic Mass	210.99966
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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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