Bromocyclobutane

CAT: 0127-OR41168-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR41168-01Size:5 g

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CAS Number

4399-47-7

Synonyms

Cyclobutyl bromide

MDL Number

MFCD00001317

Purity

98%

Smiles

BrC1CCC1

Storage Conditions

Store at 2-8°C

Chemical Information

Bromocyclobutane

CAS Number	4399-47-7
PubChem CID	78110
IUPAC Name	bromocyclobutane
Molecular Formula	C4H7Br
Molecular Weight	135.00
XLogP	1.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	30

SMILES

C1CC(C1)Br

InChI

InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2

InChIKey

KXVUSQIDCZRUKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4399-47-7

CID: 78110

Formula: C4H7Br

MW: 135.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.00
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	133.97311
Monoisotopic Mass	133.97311
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	30.6
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
TRC-B685023-250MG	Bromocyclobutane
BCA17580-01	1-Bromocyclobutane-1-carboxamide
HBA12223	1-Bromocyclobutane-1-carboxylic acid
YKC61835-01	Methyl trans-3-bromocyclobutane-1-carboxylate