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1260682-67-4 | Benzenepropanoic acid, 3,5-difluoro-2-methoxy-, methyl ester
CAS No: 1260682-67-4 Catalog No: AG000R38 MDL No:
Product Description
Catalog Number:
AG000R38
Chemical Name:
Benzenepropanoic acid, 3,5-difluoro-2-methoxy-, methyl ester
CAS Number:
1260682-67-4
Molecular Formula:
C11H12F2O3
Molecular Weight:
230.2080
IUPAC Name:
methyl 3-(3,5-difluoro-2-methoxyphenyl)propanoate
InChI:
InChI=1S/C11H12F2O3/c1-15-10(14)4-3-7-5-8(12)6-9(13)11(7)16-2/h5-6H,3-4H2,1-2H3
InChI Key:
VGAOLOBTKZQXMK-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1cc(F)cc(c1OC)F
Properties
Complexity:
235
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:
2.2
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