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1229726-74-2 | Benzenepropanoic acid, α,α-difluoro-β-hydroxy-3-methoxy-, ethyl ester
CAS No: 1229726-74-2 Catalog No: AG000JU8 MDL No:
Product Description
Catalog Number:
AG000JU8
Chemical Name:
Benzenepropanoic acid, α,α-difluoro-β-hydroxy-3-methoxy-, ethyl ester
CAS Number:
1229726-74-2
Molecular Formula:
C12H14F2O4
Molecular Weight:
260.2340
IUPAC Name:
ethyl 2,2-difluoro-3-hydroxy-3-(3-methoxyphenyl)propanoate
InChI:
InChI=1S/C12H14F2O4/c1-3-18-11(16)12(13,14)10(15)8-5-4-6-9(7-8)17-2/h4-7,10,15H,3H2,1-2H3
InChI Key:
QKERGFBHNLXKMJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1cccc(c1)OC)O)(F)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.237g/mol
Monoisotopic Mass:
260.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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