UCSF

ZINC01764708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 Yes

Popular Name: 4-Bromo-2-methylbenzoic acid 4-Bromo-2-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68837-59-2 , [68837-59-2]

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) 2.70 0.21 -44.58 0 2 -1 40 214.038 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 180 - 184 Enamine Building Blocks
MP 180-184° Oakwood Chemical
MP 180...184 Enamine Building Blocks
MP 181 TCI
Melting_Point 182-184? Alfa-Aesar
Melting_Point 182-184° Alfa-Aesar
MP 186-187° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific

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

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