Home Other Building Blocks ethyl 2,2-difluoro-3-hydroxy-3-phenylbutanoate

ethyl 2,2-difluoro-3-hydroxy-3-phenylbutanoate

CAS No.:
152123-58-5
Catalog Number:
AG01AFR7
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
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Product Description
Catalog Number:
AG01AFR7
Chemical Name:
ethyl 2,2-difluoro-3-hydroxy-3-phenylbutanoate
CAS Number:
152123-58-5
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
MDL Number:
MFCD12403975
IUPAC Name:
ethyl 2,2-difluoro-3-hydroxy-3-phenylbutanoate
InChI:
InChI=1S/C12H14F2O3/c1-3-17-10(15)12(13,14)11(2,16)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3
InChI Key:
ILFQGBWKIKNCCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1)(O)C)(F)F
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.238g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties