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1121586-29-5 | Methyl 4-fluoro-3-iodobenzoate
CAS No: 1121586-29-5 Catalog No: AG007C55 MDL No:MFCD11870177
Product Description
Catalog Number:
AG007C55
Chemical Name:
Methyl 4-fluoro-3-iodobenzoate
CAS Number:
1121586-29-5
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD11870177
IUPAC Name:
methyl 4-fluoro-3-iodobenzoate
InChI:
InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key:
VVVNAJAWYUURAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)I)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.037g/mol
Monoisotopic Mass:
279.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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