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1027513-46-7,MFCD09800728
Catalog No.:AA000879
1027513-46-7 | Methyl 3-fluoro-4-iodobenzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95+%
in stock  
$68.00   $48.00
- +
250mg
95+%
in stock  
$84.00   $59.00
- +
1g
95%
in stock  
$134.00   $94.00
- +
5g
95%
in stock  
$253.00   $177.00
- +
25g
95%
in stock  
$959.00   $672.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000879
Chemical Name:
Methyl 3-fluoro-4-iodobenzoate
CAS Number:
1027513-46-7
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD09800728
IUPAC Name:
methyl 3-fluoro-4-iodobenzoate
InChI:
InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:
QLOABIRBPCIWKQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)I
Properties
Computed 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  

Synonyms
 
Methyl 3-fluoro-4-iodobenzoate 
1027513-46-7 
SCHEMBL17400893 
MFCD09800728 
ZINC31829475 
AKOS027323762 
AK316217 
DS-11370 
Methyl 3-fluoro-4-iodobenzoate, AldrichCPR 
Benzoic acid, 3-fluoro-4-iodo-, methyl ester 
Literature
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