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4-Bromo-1-butanol

CAT: 0926-FB159708Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FB159708Size:25 g
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CAS Number
33036-62-3
MDL Number
MFCD00015387
Smiles
C (CCBr) CO
Molecular Formula
C4H9BrO
Molecular Weight
153.02 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

4-Bromobutanol

4-Bromo-1-butanol is a primary alcohol.

CAS Number33036-62-3
PubChem CID118388
IUPAC Name4-bromobutan-1-ol
Molecular FormulaC4H9BrO
Molecular Weight153.02
XLogP0.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
C(CCBr)CO
InChI
InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
SIJLYRDVTMMSIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromobutanol
CAS: 33036-62-3
CID: 118388
Formula: C4H9BrO
MW: 153.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.02
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass151.98368
Monoisotopic Mass151.98368
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
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

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