UCSF

ZINC02572861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 4-Chloro-3-fluoroaniline 4-Chloro-3-fluoroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 224309-64-2 , 367-22-6 , [367-22-6]

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) 1.78 2.93 -4.31 2 1 0 26 145.564 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 226° Matrix Scientific
Melting_Point 59-61? Alfa-Aesar
MP 59-61° Matrix Scientific
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
MP 61° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific
Warnings Toxic Matrix Scientific

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

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