3,4-Dichloro-D-phenylalanine

C9H9Cl2NO2CAS 52794-98-6234.08 g/mol

Open in Covalent MOL file
H2NClClOOH
Aryl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
52794-98-6
SMILES
N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIKey
NRCSJHVDTAAISV-MRVPVSSYSA-N
InChI
InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1

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

Names and synonyms

4 names
  • D-Phenylalanine, 3,4-dichloro-
  • D-3,4-Dichlorophenylalanine
  • (2R)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid
  • (R)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid

Work with 3,4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,4-Dichloro-L-phenylalanine52794-99-7Enantiomer

Similar compounds

3-Chloro-L-tyrosine7423-93-077 % similar (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-866 % similar 4-Chloro-L-phenylalanine14173-39-866 % similar 4-Chloro-DL-phenylalanine7424-00-266 % similar 3-Chloro-L-phenylalanine80126-51-865 % similar 3-Chloro-D-phenylalanine80126-52-965 % similar 2-Chloro-L-phenylalanine103616-89-363 % similar D-Dopa5796-17-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-D-phenylalanine114872-98-9 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid117391-57-8 4,6-Dichloro-2-methyl-nicotinic acid ethyl ester686279-09-4 Ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate86129-63-7

Elsewhere

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