UCSF

ZINC00404233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7697-27-0 , [7697-27-0]

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 0.37 -49.43 0 2 -1 40 214.038 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 147 Enamine Building Blocks
MP 143-145° Matrix Scientific
Melting_Point 143-147? Alfa-Aesar
MP 143...147 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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