Home Bromides 1003709-39-4
1003709-39-4,MFCD09263434
Catalog No.:AA0001P9
1003709-39-4 | 2-Bromo-4-fluoro-5-methylbenzoic acid
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250mg
97%
in stock  
$123.00   $86.00
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1g
97%
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$179.00   $125.00
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Technical Information
Catalog Number:
AA0001P9
Chemical Name:
2-Bromo-4-fluoro-5-methylbenzoic acid
CAS Number:
1003709-39-4
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD09263434
IUPAC Name:
2-bromo-4-fluoro-5-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
UVSGTNJGIMPLAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(cc1Br)F
Properties
Computed Properties
 
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-BROMO-4-FLUORO-5-METHYLBENZOIC ACID 
1003709-39-4 
CM12506 
LS10528 
2-bromo-4-fluoro-5-methyl-benzoic acid 
AK-37286 
BC002148 
DS-13252 
SC-08587 
AJ-101353 
Benzoic acid, 2-bromo-4-fluoro-5-methyl- 
DB-025854 
PubChem1362 
FT-0717644 
X4311 
S-7948 
C8H6BrFO2 
SCHEMBL15719837 
CTK7I6681 
DTXSID40662782 
UVSGTNJGIMPLAM-UHFFFAOYSA-N 
MFCD09263434 
ZINC39953642 
AKOS022177188 
Literature
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