200,000+ products from a single source!
sales@angenechem.com
42105-37-3 | 3-Oxo-2-(trifluoromethylthio)butyric acid ethyl ester
CAS No: 42105-37-3 Catalog No: AG01EVWP MDL No:
Product Description
Catalog Number:
AG01EVWP
Chemical Name:
3-Oxo-2-(trifluoromethylthio)butyric acid ethyl ester
CAS Number:
42105-37-3
Molecular Formula:
C7H9F3O3S
Molecular Weight:
230.2048
IUPAC Name:
ethyl 3-oxo-2-(trifluoromethylsulfanyl)butanoate
InChI:
InChI=1S/C7H9F3O3S/c1-3-13-6(12)5(4(2)11)14-7(8,9)10/h5H,3H2,1-2H3
InChI Key:
QZOUVWZPWRWSPI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)SC(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.201g/mol
Monoisotopic Mass:
230.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
© 2019 Angene International Limited. All rights Reserved.