Home Other Building Blocks 1,3-DIFLUOROACETONE

1,3-DIFLUOROACETONE

CAS No.:
453-14-5
Catalog Number:
AG00DCPV
Molecular Formula:
C3H4F2O
Molecular Weight:
94.0601
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Product Description
Catalog Number:
AG00DCPV
Chemical Name:
1,3-DIFLUOROACETONE
CAS Number:
453-14-5
Molecular Formula:
C3H4F2O
Molecular Weight:
94.0601
MDL Number:
MFCD07368665
IUPAC Name:
1,3-difluoropropan-2-one
InChI:
InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
InChI Key:
HKIPCXRNASWFRU-UHFFFAOYSA-N
SMILES:
FCC(=O)CF
NSC Number:
21301
Properties
Complexity:
46.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.023g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.061g/mol
Monoisotopic Mass:
94.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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