UCSF

ZINC02526234

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 3-Fluoro-4-methylbenzonitrile 3-Fluoro-4-methylbenzonitrile

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CAS Number: 170572-49-3

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) 2.23 3.6 -5.13 0 1 0 23 135.141 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 204? Alfa-Aesar
Boiling_Point 204° Alfa-Aesar
Melting_Point 45-49? Alfa-Aesar
Melting_Point 45-49° Alfa-Aesar
MP 48 TCI
MP 48-50° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific

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