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1150164-80-9 | Benzeneacetic acid, α,α-difluoro-2-methoxy-, ethyl ester
CAS No: 1150164-80-9 Catalog No: AG000FOH MDL No:MFCD12026027
Product Description
Catalog Number:
AG000FOH
Chemical Name:
Benzeneacetic acid, α,α-difluoro-2-methoxy-, ethyl ester
CAS Number:
1150164-80-9
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
MDL Number:
MFCD12026027
IUPAC Name:
ethyl 2,2-difluoro-2-(2-methoxyphenyl)acetate
InChI:
InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3
InChI Key:
ZYZZZXOHDXPMGK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1OC)(F)F
Properties
Complexity:
243
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:
0
Isotope Atom Count:
0
Molecular Weight:
230.211g/mol
Monoisotopic Mass:
230.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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