UCSF

ZINC00153053

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2-amino-6-fluorobenzonitrile 2-amino-6-fluorobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115661-37-5 , 77326-36-4

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 2.78 -7.47 2 2 0 50 136.129 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 128 Enamine Building Blocks
MP 125-127° Matrix Scientific
MP 125-128° Fluorochem
Melting_Point 125-129? Alfa-Aesar
Melting_Point 125-129° Alfa-Aesar
MP 125...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 99% Matrix Scientific
Warnings TOXIC Matrix Scientific

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