UCSF

ZINC02571853

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Chloro-3-methylbenzoic acid 2-Chloro-3-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15068-35-6 , [15068-35-6]

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) 2.54 0.92 -51.21 0 2 -1 40 169.587 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 140-144° Oakwood Chemical
MP 142-144° Matrix Scientific
MP 143 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% 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.