UCSF

ZINC00141942

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1,3-Bis(cyanomethyl)-2-fluorobenzene 1,3-Bis(cyanomethyl)-2-fluoroben…

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CAS Numbers: 175136-84-2 , [175136-84-2]

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) 1.93 6.84 -12.91 0 2 0 48 174.178 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 75-77° Matrix Scientific
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific

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