Home Halogens 1-chloro-3-fluoro-3-methylbutan-2-one

1-chloro-3-fluoro-3-methylbutan-2-one

CAS No.:
80212-78-8
Catalog Number:
AG01BCVR
Molecular Formula:
C5H8ClFO
Molecular Weight:
138.5678
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Product Description
Catalog Number:
AG01BCVR
Chemical Name:
1-chloro-3-fluoro-3-methylbutan-2-one
CAS Number:
80212-78-8
Molecular Formula:
C5H8ClFO
Molecular Weight:
138.5678
MDL Number:
MFCD19160709
IUPAC Name:
1-chloro-3-fluoro-3-methylbutan-2-one
InChI:
InChI=1S/C5H8ClFO/c1-5(2,7)4(8)3-6/h3H2,1-2H3
InChI Key:
UZALWUYLRWEWNQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(F)(C)C
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.566g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties