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127500-78-1 | Benzoic acid, 5-fluoro-2-iodo-, ethyl ester
CAS No: 127500-78-1 Catalog No: AG01FAWI MDL No:
Product Description
Catalog Number:
AG01FAWI
Chemical Name:
Benzoic acid, 5-fluoro-2-iodo-, ethyl ester
CAS Number:
127500-78-1
Molecular Formula:
C9H8FIO2
Molecular Weight:
294.0615
IUPAC Name:
ethyl 5-fluoro-2-iodobenzoate
InChI:
InChI=1S/C9H8FIO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
InChI Key:
JTSYJBDEPYUKRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)ccc1I
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.064g/mol
Monoisotopic Mass:
293.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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