Home Halogens 4-(bromomethyl)-1,3-dioxane

4-(bromomethyl)-1,3-dioxane

CAS No.:
31100-39-7
Catalog Number:
AG01A63Y
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
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Product Description
Catalog Number:
AG01A63Y
Chemical Name:
4-(bromomethyl)-1,3-dioxane
CAS Number:
31100-39-7
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD20623559
IUPAC Name:
4-(bromomethyl)-1,3-dioxane
InChI:
InChI=1S/C5H9BrO2/c6-3-5-1-2-7-4-8-5/h5H,1-4H2
InChI Key:
DRYWJFPCWJYCEW-UHFFFAOYSA-N
SMILES:
BrCC1CCOCO1
Properties
Complexity:
67.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties