UCSF

ZINC14989280

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 Yes

Popular Name: 2-Chloro-3-methylbenzonitrile 2-Chloro-3-methylbenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15013-71-5 , [15013-71-5]

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) 2.72 5.88 -6.41 0 1 0 24 151.596 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 64-66° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.