UCSF

ZINC02513307

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: methyl 4-amino-2-chlorobenzoate methyl 4-amino-2-chlorobenzoate

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CAS Numbers: 46004-37-9 , [46004-37-9]

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) 1.45 0.1 -8.12 2 3 0 52 185.61 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 102-107° Oakwood Chemical
MP 107 - 109 Enamine Building Blocks
MP 107...109 Enamine Building Blocks
MP 109 - 111 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 94% Fluorochem
purity 95 Enamine Building Blocks
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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