UCSF

ZINC01081226

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 10 No

Popular Name: 4-Bromo-2-fluorobenzaldehyde 4-Bromo-2-fluorobenzaldehyde

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CAS Number: 57848-46-1

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.63 1.51 -9.36 0 1 0 17 203.01 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 42?/19mm Alfa-Aesar
Boiling_Point 42°/19mm Alfa-Aesar
MP 59 - 64 Enamine Building Blocks
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
MP 59...64 Enamine Building Blocks
MP 60-62° Matrix Scientific
MP 63 TCI
MP 63 - 65 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT, AIR SENSITIVE Matrix Scientific
Warnings Irritant/Air Sensitive Matrix Scientific
Warnings Irritant/Light Sensitive/Air Sensitive/Stored under Argon Matrix Scientific

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

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