UCSF

ZINC02560127

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Popular Name: 2-(Difluoromethoxy)benzoic acid 2-(Difluoromethoxy)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 97914-59-5 , [97914-59-5]

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) 2.50 2.26 -53.38 0 3 -1 49 187.121 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
Melting_Point 98-100? Alfa-Aesar
Melting_Point 98-100° Alfa-Aesar
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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