UCSF

ZINC16159792

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 10 Yes

Popular Name: 2-Amino-3-fluorobenzonitrile 2-Amino-3-fluorobenzonitrile

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CAS Numbers: 115661-37-5 , [115661-37-5]

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) 1.24 2.84 -5.05 2 2 0 50 136.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 79-80° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings TOXIC Matrix Scientific

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