UCSF

ZINC08729946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 12 Yes

Popular Name: Methyl 4-amino-3-fluorobenzoate Methyl 4-amino-3-fluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 185629-32-7 , 849793-89-1 , [185629-32-7]

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) 1.68 3.12 -7.6 2 3 0 52 169.155 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 110 KeyOrganics
MP 107-110° Matrix Scientific
MP 109-110° Oakwood Chemical
MP 111 - 113 Enamine Building Blocks
MP 111...113 Enamine Building Blocks
MP 173 - 175 Enamine Building Blocks
MP 173...175 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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