UCSF

ZINC00406427

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 4-Chloro-3-methylbenzoic acid 4-Chloro-3-methylbenzoic acid

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CAS Number: 7697-29-2

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) 2.90 0.95 -45.71 0 2 -1 40 169.587 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 212-216? Alfa-Aesar
Melting_Point 212-216° Alfa-Aesar
MP 213 TCI
MP 216-218° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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