UCSF

ZINC22213930

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 No

Popular Name: 4-(3-chloropropoxy)benzonitrile 4-(3-chloropropoxy)benzonitrile

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CAS Number: 111627-46-4

Other Names:

MFCD09735786

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) 2.63 6.56 -7.12 0 2 0 33 195.649 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 39 - 41 Enamine Building Blocks
MP 39...41 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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