UCSF

ZINC02574308

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 3-(3-Bromophenyl)propionic acid 3-(3-Bromophenyl)propionic acid

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CAS Numbers: 42287-90-1 , [42287-90-1]

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) 2.67 0.36 -44.89 0 2 -1 40 228.065 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 63 - 65 Enamine Building Blocks
Melting_Point 63-65? Alfa-Aesar
Melting_Point 63-65° Alfa-Aesar
MP 63...65 Enamine Building Blocks
MP 73-75° Matrix Scientific
MP 76-78° Fluorochem
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% )