UCSF

ZINC02243159

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 12 No

Popular Name: (3-fluoro-4-nitrophenyl)methanol (3-fluoro-4-nitrophenyl)methanol

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CAS Numbers: 503315-74-0 , no cas , [503315-74-0]

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) 1.33 2.51 -10.29 1 4 0 66 171.127 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 93-94° Oakwood Chemical
Purity 95% Fluorochem
melting_point 96 - 97 KeyOrganics
MP 96-97° Matrix Scientific
Purity >95% 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.