chempirical

Alpha-Amino-3-fluorobenzeneacetic acid

C8H8FNO2CAS 7292-74-2169.16 g/mol

Open in Covalent MOL file
H2NOHOF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H8FNO2
Molar mass
169.16 g/mol
Exact mass
169.0539 Da
Melting point
250 °C
logP
0.91Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7292-74-2
SMILES
NC(C(=O)O)c1cccc(F)c1
InChIKey
LVYBCZIDQKJNFP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

Weigh it out

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Names and synonyms

10 names
  • α-Amino-3-fluorobenzeneacetic acid
  • Benzeneacetic acid, α-amino-3-fluoro-
  • Glycine, 2-(m-fluorophenyl)-, DL-
  • Benzeneacetic acid, α-amino-3-fluoro-, (±)-
  • DL-α-Amino-3-fluorophenylacetic acid
  • 3-Fluorophenylglycine
  • NSC 101465
  • DL-3-Fluorophenylglycine
  • Amino(3-fluorophenyl)acetic acid
  • 2-Amino-2-(3-fluorophenyl)acetic acid

Work with Alpha-Amino-3-fluorobenzeneacetic acid

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

(1)-4-Fluorophenylglycine7292-73-168 % similar D-(-)-4-Fluorophenylglycine93939-74-368 % similar 2-Amino-2-(3-chlorophenyl)acetic acid7292-71-967 % similar 3-(Trifluoromethyl)-DL-phenylglycine242475-26-964 % similar Phenylglycine2835-06-564 % similar L-Phenylglycine2935-35-564 % similar DL-Phenylglycine69-91-064 % similar (-)-Phenylglycine875-74-164 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 2,3-Dimethyl-4-fluoronitrobenzene1736-87-4 Methyl-4-amino-3-fluorobenzoate185629-32-7 (S)-4-Fluorophenylglycine19883-57-9 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-4-fluorobenzoate2475-81-2 Methyl 2-amino-5-fluorobenzoate319-24-4

Elsewhere

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