Home Halogens 5-(bromomethyl)-5-methyl-1,3-dioxan-2-one

5-(bromomethyl)-5-methyl-1,3-dioxan-2-one

CAS No.:
1346562-84-2
Catalog Number:
AG01ALLI
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
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Product Description
Catalog Number:
AG01ALLI
Chemical Name:
5-(bromomethyl)-5-methyl-1,3-dioxan-2-one
CAS Number:
1346562-84-2
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
MDL Number:
MFCD24465441
IUPAC Name:
5-(bromomethyl)-5-methyl-1,3-dioxan-2-one
InChI:
InChI=1S/C6H9BrO3/c1-6(2-7)3-9-5(8)10-4-6/h2-4H2,1H3
InChI Key:
NXPZBWYAWXVJNT-UHFFFAOYSA-N
SMILES:
BrCC1(C)COC(=O)OC1
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.974g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.039g/mol
Monoisotopic Mass:
207.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties