99754-06-0
Product Name:
2-(P-AMYLCINNAMOYL)AMINO-4-CHLOROBENZOIC ACID
Formula:
C21H22ClNO3
Synonyms:
2-(p-Amylcinnamoyl)amino-4-chlorobenzoic acid;4-Chloro-2-[[1-oxo-3-(4-pentylphenyl)-2-propen-1-yl]amino]-benzoic acid
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 371.9 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 371.1288213 g/mol |
| Monoisotopic Mass | 371.1288213 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 486 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |