UCSF

ZINC04218606

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: (5-chloro-2-methoxyphenyl)acetonitrile (5-chloro-2-methoxyphenyl)aceton…

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CAS Numbers: 7048-38-6 , [7048-38-6]

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) 2.56 2.71 -7.74 0 2 0 33 181.622 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 51 - 55 Enamine Building Blocks
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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