UCSF

ZINC00390867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 11 Yes

Popular Name: 3-Bromo-5-methylbenzoic acid 3-Bromo-5-methylbenzoic acid

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CAS Numbers: 328-67-6 , 58530-13-5 , 6307-83-1 , [58530-13-5]

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) 3.03 0.35 -47.97 0 2 -1 40 214.038 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 178 - 179 Enamine Building Blocks
MP 178...179 Enamine Building Blocks
MP 182-185° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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