4-Chloro-D-phenylalanine hydrochloride

C₉H₁₁Cl₂NO₂CAS 147065-05-2236.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₁Cl₂NO₂
Molar mass: 236.09 g/mol
Exact mass: 235.0167 Da
logP: 1.72Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

147065-05-2

SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N)Cl.Cl

InChIKey

PFOCEDBJFKVRHU-DDWIOCJRSA-N

InChI

InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1

Weigh it out

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

Work with 4-Chloro-D-phenylalanine hydrochloride

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

(2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-891 % similar 4-Chloro-L-phenylalanine14173-39-891 % similar 4-Chloro-dl-phenylalanine7424-00-291 % similar Tyrosine hydrochloride16870-43-273 % similar L-Phenylalanine, 4-amino-, hydrochloride (1:1)62040-55-571 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-569 % similar 3-Chloro-D-phenylalanine80126-52-965 % similar D-Tyrosine556-02-565 % similar

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

Elsewhere

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