Home Other Building Blocks ETHYL 4,4-DIFLUORO-5-HYDROXYPENTANOATE

ETHYL 4,4-DIFLUORO-5-HYDROXYPENTANOATE

CAS No.:
79360-94-4
Catalog Number:
AG01E18V
Molecular Formula:
C7H12F2O3
Molecular Weight:
182.1652
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Product Description
Catalog Number:
AG01E18V
Chemical Name:
ETHYL 4,4-DIFLUORO-5-HYDROXYPENTANOATE
CAS Number:
79360-94-4
Molecular Formula:
C7H12F2O3
Molecular Weight:
182.1652
MDL Number:
MFCD24386315
IUPAC Name:
ethyl 4,4-difluoro-5-hydroxypentanoate
InChI:
InChI=1S/C7H12F2O3/c1-2-12-6(11)3-4-7(8,9)5-10/h10H,2-5H2,1H3
InChI Key:
IAURJAZOQMEKRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(CO)(F)F
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.167g/mol
Monoisotopic Mass:
182.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties