Home Bromides 13280-08-5
13280-08-5,MFCD20617490
Catalog No.:AA01EMJ2
13280-08-5 | 4-bromobut-2-yn-1-ol
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Purity
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1g
95.0%
3 weeks  
$1,228.00
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Technical Information
Catalog Number:
AA01EMJ2
Chemical Name:
4-bromobut-2-yn-1-ol
CAS Number:
13280-08-5
Molecular Formula:
C4H5BrO
Molecular Weight:
148.9859
MDL Number:
MFCD20617490
IUPAC Name:
4-bromobut-2-yn-1-ol
InChI:
InChI=1S/C4H5BrO/c5-3-1-2-4-6/h6H,3-4H2
InChI Key:
JAEJDMMPAMYPCZ-UHFFFAOYSA-N
SMILES:
OCC#CCBr
Properties
Computed Properties
 
Complexity:
76  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.952g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.987g/mol
Monoisotopic Mass:
147.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
13280-08-5 
1-bromo-4-hydroxy-2-butyne 
4-bromobut-2-yn-1-ol 
4-Bromo-2-butyne-1-ol 
SCHEMBL7530762 
Literature
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