Home Bromides 100125-96-0
100125-96-0,MFCD16293389
Catalog No.:AA0000XU
Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester | 100125-96-0
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Purity
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1g
97%
1 week  
$134.00
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5g
97%
1 week  
$390.00
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Technical Information
Catalog Number:
AA0000XU
Chemical Name:
Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester
CAS Number:
100125-96-0
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD16293389
IUPAC Name:
ethyl 2-(3-bromo-4-methoxyphenyl)acetate
InChI:
InChI=1S/C11H13BrO3/c1-3-15-11(13)7-8-4-5-10(14-2)9(12)6-8/h4-6H,3,7H2,1-2H3
InChI Key:
YMZZEMPQYJBPFT-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)Br)OC
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
100125-96-0 
ethyl 3-bromo-4-methoxyphenylacetate 
ethyl 3-bromo-4-meth-oxyphenylacetate 
ethyl(3-bromo-4-methoxyphenyl)acetate 
AS06083 
CM13660 
AS-33218 
AJ-125792 
AX8291246 
3-BROMO-4-METHOXYPHENYLACETIC ACID ETHYL ESTER 
Ethyl 2-(3-bromo-4-methoxyphenyl)acetate 
(3-Bromo-4-methoxy-phenyl)-acetic acid ethyl ester 
Benzeneacetic acid, 3-bromo-4-methoxy-, ethyl ester 
SCHEMBL134808 
YMZZEMPQYJBPFT-UHFFFAOYSA-N 
MFCD16293389 
ZINC83229499 
AKOS017556648 
Literature
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