Home Bromides 40640-98-0
40640-98-0,MFCD07772961
Catalog No.:AA003I0X
40640-98-0 | Ethyl 3-(4-bromophenyl)propanoate
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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
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Technical Information
Catalog Number:
AA003I0X
Chemical Name:
Ethyl 3-(4-bromophenyl)propanoate
CAS Number:
40640-98-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD07772961
IUPAC Name:
ethyl 3-(4-bromophenyl)propanoate
InChI:
InChI=1S/C11H13BrO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChI Key:
STMHGPFYLQOGJD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
174  
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:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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