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4-Bromophenylalanine

CAT: 0926-FB32391-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FB32391-02Size:10 g
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CAS Number
14091-15-7
Synonyms
4-Bromo-DL-phenylalanine
MDL Number
MFCD00002599
Smiles
C1=CC (=CC=C1CC (C (=O) O) N) Br
Molecular Formula
C9H10BrNO2
Molecular Weight
244.09 g/mol
Controlled
No

Chemical Information

4-Bromophenylalanine

4-bromophenylalanine is a phenylalanine derivative that is phenylalanine substituted by a bromo group at position 4 of the phenyl ring. It is a phenylalanine derivative and a member of bromobenzenes.

CAS Number14091-15-7
PubChem CID85681
IUPAC Name2-amino-3-(4-bromophenyl)propanoic acid
Molecular FormulaC9H10BrNO2
Molecular Weight244.08
XLogP-0.4
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity178
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)Br
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)
InChIKey
PEMUHKUIQHFMTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromophenylalanine
CAS: 14091-15-7
CID: 85681
Formula: C9H10BrNO2
MW: 244.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.08
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass242.98949
Monoisotopic Mass242.98949
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
263774-014-Bromophenylalanine
450697-01Fmoc-l-4-bromophenylalanine
443263-01Boc-L-4-Bromophenylalanine
450493-01Fmoc-d-4-bromophenylalanine
sc-473807Boc-α-methyl-L-4-bromophenylalanine
CSB-DT2082Fmoc-α-methyl-L-4- bromophenylalanine
MBS9022574-01Fmoc-alpha-methyl-L-4-bromophenylalanine
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