UCSF

ZINC01706166

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

Popular Name: 4-Fluoro-3-nitrobenzoic acid 4-Fluoro-3-nitrobenzoic acid

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CAS Numbers: 453-71-4 , [453-71-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.90 4.8 -41.01 0 5 -1 86 184.102 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 101 - 103 Enamine Building Blocks
MP 101...103 Enamine Building Blocks
MP 119.5-121° Matrix Scientific
Mp [°C] 120 - 126 Acros Organics
MP 121 TCI
Melting_Point 121-126? Alfa-Aesar
Melting_Point 121-126° Alfa-Aesar
MP 123-126° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 92?/15mm Alfa-Aesar
Boiling_Point 92°/15mm Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% APIChem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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