33628-03-4
Product Name:
5-PHENYL-2-[2-[[5-PHENYL-3-(3-SULFOPROPYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL-1-BUTENYL]-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT], SODIUM SALT
Formula:
C37H37N2NaO8S2
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 722.8 g/mol |
---|---|
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 11 |
Exact Mass | 722.17325271 g/mol |
Monoisotopic Mass | 722.17325271 g/mol |
Topological Polar Surface Area | 161 Ų |
Heavy Atom Count | 50 |
Formal Charge | 0 |
Complexity | 1230 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 2 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |