Home Bromides 1003709-54-3
1003709-54-3,MFCD09263436
Catalog No.:AA0001P7
1003709-54-3 | Benzoic acid, 2-bromo-5-fluoro-4-methyl-
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25g
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Technical Information
Catalog Number:
AA0001P7
Chemical Name:
Benzoic acid, 2-bromo-5-fluoro-4-methyl-
CAS Number:
1003709-54-3
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD09263436
IUPAC Name:
2-bromo-5-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H6BrFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
WFPYJWBPQCXYCJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1Br)C
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-5-FLUORO-4-METHYLBENZOIC ACID 
1003709-54-3 
CM12508 
GS-5522 
LS10526 
XF10084 
KS-0000262Z 
Benzoicacid,2-bromo-5-fluoro-4-methyl- 
AK136436 
BC002150 
SC-77470 
AJ-101355 
PubChem1364 
Benzoic acid, 2-bromo-5-fluoro-4-methyl- 
DB-058373 
CS-0034104 
FT-0767757 
X4313 
2-Bromo-5-fluoro-4-methylbenzoic acid, AldrichCPR 
C8H6BrFO2 
S-7950 
1003709-39-4 
SCHEMBL851686 
CTK7I6958 
DTXSID60662784 
MFCD09263436 
ZINC39953644 
2-Bromo-5-fluoro-4-methylbenzoicacid 
AKOS022171901 
Literature
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