Home Other Building Blocks Benzenepropanoic acid, a,a-difluoro-b-hydroxy-, ethyl ester

Benzenepropanoic acid, a,a-difluoro-b-hydroxy-, ethyl ester

CAS No.:
92207-60-8
Catalog Number:
AG00IH1U
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
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Product Description
Catalog Number:
AG00IH1U
Chemical Name:
Benzenepropanoic acid, a,a-difluoro-b-hydroxy-, ethyl ester
CAS Number:
92207-60-8
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
MDL Number:
MFCD00725033
IUPAC Name:
ethyl 2,2-difluoro-3-hydroxy-3-phenylpropanoate
InChI:
InChI=1S/C11H12F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChI Key:
OYRPSENEIFZNIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1)O)(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.211g/mol
Monoisotopic Mass:
230.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties