| CAS Number | 631911-09-6 |
| Catalog Number | AG00ELNT(AGN-PC-0WRA4V) |
| Chemical Name | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C14H20BNO3/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17) |
| InChI Key | APCPHCRRFATAOY-UHFFFAOYSA-N |
| MDL Number | MFCD18732747 |
| Molecular Formula | C14H20BNO3 |
| Molecular Weight | 261.1245 |
| SMILES | O=C(N)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(C)=C1 |
| Synonyms | 631911-09-6,
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
SCHEMBL2823437,
MFCD18732747,
ZINC170004183,
FT-0769673,
(4-Carbamoyl-2-methylphenyl)boronic acid, pinacol ester,
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.128g/mol |
| Monoisotopic Mass | 261.154g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number