UCSF

ZINC00152883

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 2-Chloro-4-fluoroaniline 2-Chloro-4-fluoroaniline

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CAS Numbers: 2/7/2106 12:00:00 AM , 2106-02-7 , 75279.0 , [2106-02-7]

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) 2.19 3.01 -3.14 2 1 0 26 145.564 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 120 / 39.8 TCI
Boiling_Point 191-192? Alfa-Aesar
Boiling_Point 191-192° Alfa-Aesar
BP 192° Matrix Scientific
Purity 98% Matrix Scientific
Purity 99% Matrix Scientific
Warnings TOXIC Matrix Scientific
PUBCHEM_PATENT_ID US4968702 IBM Patent Data

Activity (Go SEA)

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