UCSF

ZINC01764338

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 3-(2-Bromophenyl)propionic acid 3-(2-Bromophenyl)propionic acid

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CAS Numbers: 15115-58-9 , [15115-58-9]

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) 2.64 0.41 -47.46 0 2 -1 40 228.065 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 93-95? Alfa-Aesar
Melting_Point 93-95° Alfa-Aesar
purity 95 Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
MP 95...97 Enamine Building Blocks
MP 96-98° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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