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Home > Fluorides > 925215-01-6
925215-01-6 | Benzoic acid, 2-fluoro-6-iodo-, ethyl ester
CAS No: 925215-01-6 Catalog No: AG01FB4E MDL No:
Product Description
Catalog Number:
AG01FB4E
Chemical Name:
Benzoic acid, 2-fluoro-6-iodo-, ethyl ester
CAS Number:
925215-01-6
Molecular Formula:
C9H8FIO2
Molecular Weight:
294.0615
IUPAC Name:
ethyl 2-fluoro-6-iodobenzoate
InChI:
InChI=1S/C9H8FIO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChI Key:
BMTCVMFXZCEZHE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)cccc1I
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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