(S)-2-Amino-2-(2,5-difluorophenyl)acetic acid

HCID 7019552

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Basic information

CAS: 1228561-02-1
Standard SMILES: N[C@H](C(=O)O)c1cc(F)ccc1F
InChIKey: FSTDRNWTSCJIRN-ZETCQYMHSA-N
Molecular formula: C8H7F2NO2
Average molar mass: 187.14 g/mol
Monoisotopic mass: 187.04448479

Names & identifiers

Preferred name: (S)-2-Amino-2-(2,5-difluorophenyl)acetic acid
IUPAC: (2S)-2-amino-2-(2,5-difluorophenyl)acetic acid

Names & synonyms

1228561-02-1(S)-2-AMINO-2-(2,5-DIFLUOROPHENYL)ACETIC ACIDDTXSID101260416AKOS006272773(2S)-Amino(2,5-difluorophenyl)acetic acid(I+/-S)-I+/--Amino-2,5-difluorobenzeneacetic acid

Database identifiers

CAS: 1228561-02-1
PubChem CID: 7019552
DTXSID: DTXSID101260416
Nikkaji: J1.917.963J

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 201

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