UCSF

ZINC02507888

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 2-Chloro-5-methylbenzonitrile 2-Chloro-5-methylbenzonitrile

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CAS Numbers: 4387-32-0 , [4387-32-0]

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) 2.75 5.96 -5.76 0 1 0 24 151.596 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 113°/7mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific

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