Home Bromides 1007455-21-1
1007455-21-1,MFCD13193242
Catalog No.:AA0002OU
1007455-21-1 | 2-Bromo-4-fluoro-5-methoxybenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$215.00   $150.00
- +
5g
96%
in stock  
$715.00   $500.00
- +
10g
96%
in stock  
$1,191.00   $834.00
- +
25g
96%
in stock  
$1,905.00   $1,334.00
- +
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Technical Information
Catalog Number:
AA0002OU
Chemical Name:
2-Bromo-4-fluoro-5-methoxybenzoic acid
CAS Number:
1007455-21-1
Molecular Formula:
C8H6BrFO3
Molecular Weight:
249.0338
MDL Number:
MFCD13193242
IUPAC Name:
2-bromo-4-fluoro-5-methoxybenzoic acid
InChI:
InChI=1S/C8H6BrFO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
HECJSMILDFGZPA-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1F)Br
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.948g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.035g/mol
Monoisotopic Mass:
247.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
2-BROMO-4-FLUORO-5-METHOXYBENZOIC ACID 
1007455-21-1 
2-Bromo-4-fluoro-5-metoxybenzoic acid 
CM12505 
FCH1381878 
KS-0000246L 
AJ-129218 
AX8287856 
Benzoic acid, 2-bromo-4-fluoro-5-methoxy- 
Z1784 
C8H6BrFO3 
CS-4186 
2-BroMo-4-fluoro-5-Methoxybenzoicacid 
SCHEMBL570692 
CTK6J5246 
DTXSID60700771 
HECJSMILDFGZPA-UHFFFAOYSA-N 
MFCD13193242 
ZINC91252031 
AKOS022190228 
Literature
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