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Home > Fluorides > 1256482-44-6
1256482-44-6 | 3,5-Difluoro-4-methoxybenzoic acid ethyl ester
CAS No: 1256482-44-6 Catalog No: AG01FA0V MDL No:
Product Description
Catalog Number:
AG01FA0V
Chemical Name:
3,5-Difluoro-4-methoxybenzoic acid ethyl ester
CAS Number:
1256482-44-6
Molecular Formula:
C10H10F2O3
Molecular Weight:
216.1814
IUPAC Name:
ethyl 3,5-difluoro-4-methoxybenzoate
InChI:
InChI=1S/C10H10F2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChI Key:
BTVKSPOMFLIODO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(c(c1)F)OC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.184g/mol
Monoisotopic Mass:
216.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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