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(Bromomethyl) cyclobutane

CAT: 0926-FB15768-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FB15768-01Size:50 g
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CAS Number
17247-58-4
Synonyms
Cyclobutylmethyl bromide
MDL Number
MFCD00040960
Smiles
C1CC (C1) CBr
Molecular Formula
C5H9Br
Molecular Weight
149.03 g/mol
Controlled
No

Chemical Information

(Bromomethyl)cyclobutane
CAS Number17247-58-4
PubChem CID2734658
IUPAC Namebromomethylcyclobutane
Molecular FormulaC5H9Br
Molecular Weight149.03
XLogP2.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity39
SMILES
C1CC(C1)CBr
InChI
InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2
InChIKey
FLHFTXCMKFVKRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Bromomethyl)cyclobutane
CAS: 17247-58-4
CID: 2734658
Formula: C5H9Br
MW: 149.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.03
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass147.98876
Monoisotopic Mass147.98876
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity39.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes