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14091-15-7 | Phenylalanine, 4-bromo-
CAS No: 14091-15-7 Catalog No: AG001D0D MDL No:MFCD00002599
Product Description
Catalog Number:
AG001D0D
Chemical Name:
Phenylalanine, 4-bromo-
CAS Number:
14091-15-7
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD00002599
IUPAC Name:
2-amino-3-(4-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
PEMUHKUIQHFMTH-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)Cc1ccc(cc1)Br
EC Number:
237-941-3
NSC Number:
12762
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Design of a bacterial host for site-specific incorporation of p-bromophenylalanine into recombinant proteins. | Journal of the American Chemical Society 20060913 |
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