Home Halogens 1-bromo-3-methoxy-3-methylbutan-2-one

1-bromo-3-methoxy-3-methylbutan-2-one

CAS No.:
76336-55-5
Catalog Number:
AG01B7NZ
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
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Product Description
Catalog Number:
AG01B7NZ
Chemical Name:
1-bromo-3-methoxy-3-methylbutan-2-one
CAS Number:
76336-55-5
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD20636671
IUPAC Name:
1-bromo-3-methoxy-3-methylbutan-2-one
InChI:
InChI=1S/C6H11BrO2/c1-6(2,9-3)5(8)4-7/h4H2,1-3H3
InChI Key:
RLEAJEINZQWXQO-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(OC)(C)C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties