UCSF

ZINC00403487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 3-Chloro-2-fluoroaniline 3-Chloro-2-fluoroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2106-04-9 , 2106-4-9 , 4/9/2106 12:00:00 AM , [2106-04-9]

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) 2.17 2.96 -4.37 2 1 0 26 145.564 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 145 - 154 Enamine Building Blocks
MP 145...154 Enamine Building Blocks
Boiling_Point 214? Alfa-Aesar
BP 214° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
BP 99 / 14 TCI
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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

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