Home Bromides 99548-72-8
99548-72-8,MFCD17676588
Catalog No.:AA003IXL
99548-72-8 | 3-Bromo-2-ethylbenzoic acid
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Purity
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Price(USD)
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100mg
95%
in stock  
$92.00   $65.00
- +
250mg
95%
in stock  
$177.00   $124.00
- +
1g
95%
in stock  
$424.00   $297.00
- +
10g
97+%
in stock  
$2,178.00   $1,524.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IXL
Chemical Name:
3-Bromo-2-ethylbenzoic acid
CAS Number:
99548-72-8
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD17676588
IUPAC Name:
3-bromo-2-ethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
VXQLZSPAHPPVPE-UHFFFAOYSA-N
SMILES:
CCc1c(Br)cccc1C(=O)O
Properties
Computed Properties
 
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
3-bromo-2-ethylbenzoic acid 
99548-72-8 
Benzoic acid, 3-bromo-2-ethyl- 
MFCD17676588 
ZINC66325801 
AKOS015890905 
CS-W021854 
DS-7257 
FCH1362149 
TRA0035320 
3-Bromo-2-ethylbenzoic acid, AldrichCPR 
AJ-116027 
3-Bromo-2-ethyl-benzoic acid 
AX8281509 
DB-080612 
TC-071965 
FT-0708274 
ST24041838 
X3631 
A25708 
I01-8704 
C9H9BrO2 
ACN-038940 
AK141322 
ACMC-20c58v 
2-Ethyl-3-bromobenzoic acid 
SCHEMBL1400049 
CTK8D4330 
KS-00000RUC 
DTXSID60677414 
Literature
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