2,4-Dichloro-D-phenylalanine

C₉H₉Cl₂NO₂CAS 114872-98-9234.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₉Cl₂NO₂
Molar mass: 234.08 g/mol
Exact mass: 233.0010 Da
logP: 1.95Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

114872-98-9

SMILES

C1=CC(=C(C=C1Cl)Cl)C[C@H](C(=O)O)N

InChIKey

GWHQTNKPTXDNRM-MRVPVSSYSA-N

InChI

InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

D-2,4-Dichlorophenylalanine

Work with 2,4-Dichloro-D-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-L-phenylalanine103616-89-372 % similar 4-Chloro-L-phenylalanine14173-39-863 % similar 4-Chloro-dl-phenylalanine7424-00-263 % similar 3-Chloro-D-phenylalanine80126-52-962 % similar 6-Chloro-L-tryptophan33468-35-862 % similar (βS)-β-Amino-2,4-dichlorobenzenebutanoic acid270063-47-361 % similar 3-Chloro-L-tyrosine7423-93-054 % similar 2,4-Dichlorophenylacetic acid19719-28-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Amino-3-(3,4-dichloro-phenyl)-propionic acid117391-57-8 3,4-Dichloro-D-phenylalanine52794-98-6 3,4-Dichloro-L-phenylalanine52794-99-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook