UCSF

ZINC08729992

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 369-26-6 , [369-26-6]

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 3.11 -5.44 2 3 0 52 169.155 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 66 - 69 KeyOrganics
MP 66-69° Matrix Scientific
MP 67 - 69 Enamine Building Blocks
MP 67...69 Enamine Building Blocks
MP 69 - 71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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