Home Halogens 2-bromo-1-(oxan-4-yl)propan-1-one

2-bromo-1-(oxan-4-yl)propan-1-one

CAS No.:
1187468-69-4
Catalog Number:
AG01BAUO
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
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Product Description
Catalog Number:
AG01BAUO
Chemical Name:
2-bromo-1-(oxan-4-yl)propan-1-one
CAS Number:
1187468-69-4
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
MDL Number:
MFCD29033774
IUPAC Name:
2-bromo-1-(oxan-4-yl)propan-1-one
InChI:
InChI=1S/C8H13BrO2/c1-6(9)8(10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3
InChI Key:
YEFHYSLHOYYJJL-UHFFFAOYSA-N
SMILES:
CC(C(=O)C1CCOCC1)Br
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.094g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties