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2-Bromophenyl-DL-alanine

CAT: 0127-OR480300-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1991-79-3
MDL Number
MFCD05227934
Purity
95%
Smiles
NC(Cc1ccccc1Br)C(=O)O

Chemical Information

2-Bromophenylalanine

2-bromo-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a bromo group at position 2 of the phenyl ring. It is a member of bromobenzenes and a L-phenylalanine derivative.

CAS Number1991-79-3
PubChem CID193338
IUPAC Name(2S)-2-amino-3-(2-bromophenyl)propanoic acid
Molecular FormulaC9H10BrNO2
Molecular Weight244.08
XLogP-0.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)Br
InChI
InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey
JFVLNTLXEZDFHW-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromophenylalanine
CAS: 1991-79-3
CID: 193338
Formula: C9H10BrNO2
MW: 244.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.08
XLogP3-0.7
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
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2664043- (p-bromophenyl) -DL-beta-alanine
sc-2663173- (3-bromophenyl) -DL-beta-alanine
sc-263774N-Acetyl-2- (4-bromophenyl) -DL-beta-alanine
sc-344952N-Acetyl-2- (4-bromophenyl) -beta-DL-alanine
HY-N2362-01DL-Alanine
01114-32DL-α-Alanine

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