UCSF

ZINC00403422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 Yes

Popular Name: 3-Methoxy-2,4,5-trifluorobenzoic acid 3-Methoxy-2,4,5-trifluorobenzoic…

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CAS Numbers: 11281-65-5 , 112811-65-1 , 112811-65-1/11281-65-5 , 112811-65-5

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) 1.84 3.69 -41.21 0 3 -1 49 205.111 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-115? Alfa-Aesar
Melting_Point 114-115° Alfa-Aesar
Melting_Point 114-118? Alfa-Aesar
MP 114-118° Matrix Scientific
MP 118 TCI
Purity 98% Matrix Scientific
Purity 99% APIChem
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings Irritant Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.