Tribenuron - CAS 106040-48-6
Catalog: |
BB053659 |
Product Name: |
Tribenuron |
CAS: |
106040-48-6 |
Synonyms: |
Tribenuron |
IUPAC Name: | 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoic acid |
Description: | Tribenuron is an herbicide. |
Molecular Weight: | 381.37 |
Molecular Formula: | C14H15N5O6S |
Canonical SMILES: | CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21) |
InChI Key: | BQZXUHDXIARLEO-UHFFFAOYSA-N |
Melting Point: | 132-136°C |
Purity: | 95% |
Density: | 1.513 g/cm3 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, P391, and P501 |
Signal Word: | Warning |
Complexity: | 624 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.07430439 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 381.07430439 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 160 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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