Home Other Building Blocks ethyl 4-(difluoromethyl)-3-fluorobenzoate

ethyl 4-(difluoromethyl)-3-fluorobenzoate

CAS No.:
1417459-60-9
Catalog Number:
AG01BA5O
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01BA5O
Chemical Name:
ethyl 4-(difluoromethyl)-3-fluorobenzoate
CAS Number:
1417459-60-9
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD22688375
IUPAC Name:
ethyl 4-(difluoromethyl)-3-fluorobenzoate
InChI:
InChI=1S/C10H9F3O2/c1-2-15-10(14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9H,2H2,1H3
InChI Key:
AZVATHSVUMTIIV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)F)C(F)F
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties