UCSF

ZINC01467533

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 12 Yes

Popular Name: methyl 3-amino-4-chlorobenzoate methyl 3-amino-4-chlorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 40872-87-5

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) 2.20 0.27 -5.07 2 3 0 52 185.61 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
MP 83 TCI
MP 83° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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