UCSF

ZINC00332355

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 10 Yes

Popular Name: 3-Bromoisonicotinic acid 3-Bromoisonicotinic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13959-02-9 , 30683-23-9 , [13959-02-9]

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) 1.18 2.85 -42.95 0 3 -1 53 200.999 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 225 - 227 Enamine Building Blocks
MP 225...227 Enamine Building Blocks
MP 236-238.5 Matrix Scientific
MP 237 - 239 Enamine Building Blocks
MP 237-238° Oakwood Chemical
Mp [°C] 241 - 244 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Melting_Point ca 235? dec. Alfa-Aesar
Melting_Point ca 235° dec. Alfa-Aesar
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics

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