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101068-11-5 | Acetic acid, 2,2-difluoro-2-(phenylthio)-, ethyl ester
CAS No: 101068-11-5 Catalog No: AG0003NE MDL No:
Product Description
Catalog Number:
AG0003NE
Chemical Name:
Acetic acid, 2,2-difluoro-2-(phenylthio)-, ethyl ester
CAS Number:
101068-11-5
Molecular Formula:
C10H10F2O2S
Molecular Weight:
232.2470
IUPAC Name:
ethyl 2,2-difluoro-2-phenylsulfanylacetate
InChI:
InChI=1S/C10H10F2O2S/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
SAUWUIZUUFYXCS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccccc1)(F)F
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.245g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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