UCSF

ZINC19859472

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 10 Yes

Popular Name: 5-Bromo-1H-benzotriazole 5-Bromo-1H-benzotriazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 32046-62-1 , [32046-62-1]

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) 2.07 2.37 -6.91 1 3 0 42 198.023 0 ↓
Ref Reference (pH 7) 2.07 2.28 -5.15 1 3 0 42 198.023 0 ↓
Mid Mid (pH 6-8) 2.07 2.23 -34.99 0 3 -1 40 197.015 0 ↓
Mid Mid (pH 6-8) 2.07 2.4 -4.72 1 3 0 42 198.023 0 ↓
Mid Mid (pH 6-8) 2.07 2.13 -35.11 0 3 -1 40 197.015 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0063962A2; EP0063962B2; EP0083239A2; EP0137223A2; EP0198438A2; EP0212968A2; EP0217353A2; EP0217353B1; EP0220746A2; EP0220746B1; EP0226849B1; EP0295945A2; EP0295945B1; EP0311009A2; EP0316864A2; EP0331096A2; EP0331096B1; EP0335319A2; EP0335319B1; EP036757 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4845016; US4950764 IBM Patent Data

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