Name: Name:ethyl 4-oxo-5-(trifluoromethyl)cycloheptane-1-carboxylate, Mixture of diastereomers
Brand: Angene
SKU: AG01EJWB
Rating: 90 (10 reviews)

ethyl 4-oxo-5-(trifluoromethyl)cycloheptane-1-carboxylate, Mixture of diastereomers

CAS No.:

2138151-98-9

Catalog Number:

AG01EJWB

Molecular Formula:

C11H15F3O3

Molecular Weight:

252.2302

Catalog Number:

AG01EJWB

Chemical Name:

ethyl 4-oxo-5-(trifluoromethyl)cycloheptane-1-carboxylate, Mixture of diastereomers

CAS Number:

2138151-98-9

Molecular Formula:

C11H15F3O3

Molecular Weight:

252.2302

MDL Number:

MFCD31440786

IUPAC Name:

ethyl 4-oxo-5-(trifluoromethyl)cycloheptane-1-carboxylate

InChI:

InChI=1S/C11H15F3O3/c1-2-17-10(16)7-3-5-8(11(12,13)14)9(15)6-4-7/h7-8H,2-6H2,1H3

InChI Key:

GCKIRGYKIRZEEG-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CCC(=O)C(CC1)C(F)(F)F

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.233g/mol

Monoisotopic Mass:

252.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1