Home Bromides 1021089-12-2
1021089-12-2,MFCD07368616
Catalog No.:AA0006JX
1021089-12-2 | 2-Bromo-3-chlorophenylacetic acid methyl ester
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$258.00   $180.00
- +
5g
98%
in stock  
$1,080.00   $756.00
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Technical Information
Catalog Number:
AA0006JX
Chemical Name:
2-Bromo-3-chlorophenylacetic acid methyl ester
CAS Number:
1021089-12-2
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD07368616
IUPAC Name:
methyl 2-(2-bromo-3-chlorophenyl)acetate
InChI:
InChI=1S/C9H8BrClO2/c1-13-8(12)5-6-3-2-4-7(11)9(6)10/h2-4H,5H2,1H3
InChI Key:
RLMYEDFMDPQDTH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1Br)Cl
Properties
Computed Properties
 
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.515g/mol
Monoisotopic Mass:
261.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
methyl 2-(2-bromo-3-chlorophenyl)acetate 
1021089-12-2 
ZINC22116332 
AKOS016004793 
AJ-81070 
AS-40038 
DB-049703 
TC-155359 
A825403 
methyl 2-(2-bromanyl-3-chloranyl-phenyl)ethanoate 
2-(2-bromo-3-chlorophenyl)acetic acid methyl ester 
Benzeneacetic acid, 2-bromo-3-chloro-, methyl ester 
Methyl 2-bromo-3-chlorophenylacetate 
41024-33-3 
2-BROMO-3-CHLOROPHENYLACETIC ACID METHYL ESTER 
2-Bromo-3-chlorophenylaceticacid methyl ester 
SCHEMBL17398610 
CTK8C1448 
RLMYEDFMDPQDTH-UHFFFAOYSA-N 
ANW-66614 
MFCD07368616 
Literature
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