UCSF

ZINC01651944

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 1-Bromo-3-isopropylbenzene 1-Bromo-3-isopropylbenzene

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CAS Numbers: 1/2/5433 12:00:00 AM , 5433-01-2 , [5433-01-2]

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) 4.24 7.03 -1.76 0 0 0 0 199.091 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 210 TCI
Boiling_Point 210? Alfa-Aesar
Boiling_Point 210° Alfa-Aesar
BP 52-53°/0.8mm Oakwood Chemical
Purity 98% Fluorochem

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