HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

(3R)-3-AMINO-3-(2,3-DIFLUOROPHENYL)PROPANOIC ACID

HCID 178790359
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1228571-43-4
Standard SMILES
N[C@H](CC(=O)O)c1cccc(F)c1F
InChIKey
PDSVPPFKLOHCFR-KPOCXSGKNA-N
Molecular formula
C9H9F2NO2
Average molar mass
201.1701 g/mol

Names & identifiers

Preferred name
(3R)-3-AMINO-3-(2,3-DIFLUOROPHENYL)PROPANOIC ACID
English name
(3R)-3-Amino-3-(2,3-difluorophenyl)propanoic acid
Molecular formula
C9H9F2NO2
Molecular weight
201.1700664

Names & synonyms

(βR)-β-Amino-2,3-difluorobenzenepropanoic acid(R)-3-AMINO-3-(2,3-DIFLUOROPHENYL)PROPANOICACID(3R)-3-azaniumyl-3-(2,3-difluorophenyl)propanoate(3R)-3-Amino-3-(2,3-difluorophenyl)propanoic acidBenzenepropanoic acid, β-amino-2,3-difluoro-, (βR)-

Database identifiers

CAS
1228571-43-4

Properties

Physicochemical properties

Boiling point
302 · 302.0±42.0 °C(Predicted)
Density
1.375 · 1.375±0.06 g/cm3(Predicted)
pka
3.6 · 3.60±0.10(Predicted)
InChI
InChI=1/C9H9F2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/s3
InChIKey
PDSVPPFKLOHCFR-KPOCXSGKNA-N
SMILES
C(O)(=O)C[C@@H](N)C1=CC=CC(F)=C1F |&1:4,r|

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes