UCSF

ZINC00168816

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 11 Yes

Popular Name: 4-Amino-3-fluorobenzoic acid 4-Amino-3-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 455-87-8 , [455-87-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.1 -49.53 2 3 -1 66 154.12 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 213-214° Oakwood Chemical
Melting_Point 214-216? Alfa-Aesar
MP 214-216° Matrix Scientific
melting_point 215 - 218 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.