Home Bromides 1021735-42-1
1021735-42-1,MFCD16330770
Catalog No.:AA0006Q4
1021735-42-1 | Benzenepropanoic acid, 4-bromo-β-methyl-, methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$373.00   $261.00
- +
500mg
95.0%
3 weeks  
$641.00   $449.00
- +
1g
95.0%
3 weeks  
$835.00   $584.00
- +
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Technical Information
Catalog Number:
AA0006Q4
Chemical Name:
Benzenepropanoic acid, 4-bromo-β-methyl-, methyl ester
CAS Number:
1021735-42-1
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD16330770
IUPAC Name:
methyl 3-(4-bromophenyl)butanoate
InChI:
InChI=1S/C11H13BrO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
PUJGRHDQMSUGGT-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1ccc(cc1)Br)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:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
methyl 3-(4-bromophenyl)butanoate 
1021735-42-1 
SCHEMBL502093 
PUJGRHDQMSUGGT-UHFFFAOYSA-N 
AKOS017554756 
MCULE-3141291316 
NE23185 
Z1460739693 
Benzenepropanoic acid, 4-bromo-beta-methyl-, methyl ester 
Literature
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