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1233505-65-1 | Ethyl 2,2-Difluoroheptanoate
CAS No: 1233505-65-1 Catalog No: AG01FF9J MDL No:MFCD15530338
Product Description
Catalog Number:
AG01FF9J
Chemical Name:
Ethyl 2,2-Difluoroheptanoate
CAS Number:
1233505-65-1
Molecular Formula:
C9H16F2O2
Molecular Weight:
194.2189
MDL Number:
MFCD15530338
IUPAC Name:
ethyl 2,2-difluoroheptanoate
InChI:
InChI=1S/C9H16F2O2/c1-3-5-6-7-9(10,11)8(12)13-4-2/h3-7H2,1-2H3
InChI Key:
ILSMEABDTQHHHD-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OCC)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.112g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.222g/mol
Monoisotopic Mass:
194.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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