Home Halogens 2-bromo-3-methylbut-2-en-1-ol

2-bromo-3-methylbut-2-en-1-ol

CAS No.:
80555-61-9
Catalog Number:
AG01EM93
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
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Product Description
Catalog Number:
AG01EM93
Chemical Name:
2-bromo-3-methylbut-2-en-1-ol
CAS Number:
80555-61-9
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD28360709
IUPAC Name:
2-bromo-3-methylbut-2-en-1-ol
InChI:
InChI=1S/C5H9BrO/c1-4(2)5(6)3-7/h7H,3H2,1-2H3
InChI Key:
MGCRAWYWIQETDF-UHFFFAOYSA-N
SMILES:
OCC(=C(C)C)Br
Properties
Complexity:
82.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties