UCSF

ZINC04352719

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 11 No

Popular Name: 3-Bromo-5-nitrotoluene 3-Bromo-5-nitrotoluene

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CAS Numbers: 52488-28-5 , [52488-28-5]

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) 3.08 1.28 -5.14 0 3 0 45 216.034 1 ↓
Hi High (pH 8-9.5) 4.08 10.17 -21.39 1 7 0 96 396.443 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 269 - 270 Enamine Building Blocks
MP 269...270 Enamine Building Blocks
MP 80-82° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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