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1447671-66-0 | Methyl 3,3-difluorobutyrate
CAS No: 1447671-66-0 Catalog No: AG01FFEP MDL No:MFCD24386130
Product Description
Catalog Number:
AG01FFEP
Chemical Name:
Methyl 3,3-difluorobutyrate
CAS Number:
1447671-66-0
Molecular Formula:
C5H8F2O2
Molecular Weight:
138.1126
MDL Number:
MFCD24386130
IUPAC Name:
methyl 3,3-difluorobutanoate
InChI:
InChI=1S/C5H8F2O2/c1-5(6,7)3-4(8)9-2/h3H2,1-2H3
InChI Key:
WALSLQZTQAFCSA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(F)(F)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.114g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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