UCSF

ZINC14989277

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: 2-Amino-5-trifluoromethylbenzonitrile 2-Amino-5-trifluoromethylbenzoni…

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CAS Numbers: 549488-77-9 , 6526-08-5 , [6526-08-5]

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) 2.00 3.76 -5.92 2 2 0 50 186.136 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 72 - 74 Enamine Building Blocks
MP 72-74° Matrix Scientific
MP 72...74 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
BP 95-115°/0.4-0.7 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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