Home Bromides 1007455-22-2
1007455-22-2,MFCD20482372
Catalog No.:AA0002OT
1007455-22-2 | Methyl 2-bromo-4-fluoro-5-methoxybenzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$215.00   $150.00
- +
5g
97%
in stock  
$715.00   $500.00
- +
10g
97%
in stock  
$1,191.00   $834.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0002OT
Chemical Name:
Methyl 2-bromo-4-fluoro-5-methoxybenzoate
CAS Number:
1007455-22-2
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
MDL Number:
MFCD20482372
IUPAC Name:
methyl 2-bromo-4-fluoro-5-methoxybenzoate
InChI:
InChI=1S/C9H8BrFO3/c1-13-8-3-5(9(12)14-2)6(10)4-7(8)11/h3-4H,1-2H3
InChI Key:
KDJBAOOGTMLSCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1Br)F
Properties
Computed Properties
 
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.062g/mol
Monoisotopic Mass:
261.964g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
methyl 2-bromo-4-fluoro-5-methoxybenzoate 
1007455-22-2 
ZINC72137446 
AKOS015991519 
FCH1605335 
LF-0032 
MCULE-5284588024 
RP14807 
KS-000027J2 
DA-48410 
PC200333 
FT-0749133 
methylbromofluoromethoxybenzoate 
C9H8BrFO3 
2-Bromo-4-fluoro-5-methoxybenzoic acid methyl ester 
SCHEMBL4727289 
DTXSID20735165 
KDJBAOOGTMLSCK-UHFFFAOYSA-N 
ZX-RL003530 
7247AC 
MFCD20482372 
Literature
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