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100129-11-1
Catalog No.:AA0000YW
100129-11-1 | Phenylalanine, 4-bromo-, ethyl ester, hydrochloride (1:1)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
1 week  
$146.00
- +
250mg
95.0%
1 week  
$198.00
- +
500mg
95.0%
1 week  
$348.00
- +
1g
95.0%
1 week  
$467.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000YW
Chemical Name:
Phenylalanine, 4-bromo-, ethyl ester, hydrochloride (1:1)
CAS Number:
100129-11-1
Molecular Formula:
C11H15BrClNO2
Molecular Weight:
308.5993
IUPAC Name:
ethyl 2-amino-3-(4-bromophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C11H14BrNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H
InChI Key:
ONNVTYWLAUCHJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)Br)N.Cl
Properties
Computed Properties
 
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.6g/mol
Monoisotopic Mass:
306.997g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
Ethyl 2-amino-3-(4-bromophenyl)propanoate hydrochloride 
100129-11-1 
H-Phe(4-Br)-OEt.HCl 
232276-00-5 
Literature
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