UCSF

ZINC02574870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 2-Amino-3-fluorobenzoic acid 2-Amino-3-fluorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 825-22-9 , [17609-80-2] , [825-22-9]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.58 2.29 -44.97 2 3 -1 66 154.12 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 182 - 186 Enamine Building Blocks
MP 183 - 185 Enamine Building Blocks
MP 183...185 Enamine Building Blocks
MP 185-187° Matrix Scientific
MP 187 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

No pre-computed analogs available. Try a structural similarity search.