UCSF

ZINC01438964

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 11 No

Popular Name: 5-Bromo-2-methoxynicotinaldehyde 5-Bromo-2-methoxynicotinaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103058-87-3 , [103058-87-3]

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) 1.79 2.83 -8.38 0 3 0 39 216.034 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 103.2-103.3° Matrix Scientific
Mp [°C] 103.3 - 103.7 Acros Organics
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P362: Take off contaminated clothing and wash before reuse; P305 + P351 + P338: IF IN EYES: Rinse cautiously with Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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