| CAS Number | 1036990-22-3 |
| Catalog Number | AG00HA5S |
| Chemical Name | 1,3,2-Dioxaborolane, 2-(3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-(3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)9-6-10(15(16)17)8-11(7-9)18-5/h6-8H,1-5H3 |
| InChI Key | HXMBAEKXJMPQAA-UHFFFAOYSA-N |
| MDL Number | MFCD22493664 |
| Molecular Formula | C13H18BNO5 |
| Molecular Weight | 279.0967 |
| SMILES | COC=1C=C(C=C(C1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1036990-22-3,
1,3,2-Dioxaborolane, 2-(3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-,
2-(3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
SCHEMBL13336427,
HXMBAEKXJMPQAA-UHFFFAOYSA-N,
MFCD22493664,
ZINC170003161,
3-methoxy-5-nitro-phenyl boronic acid pinacol ester,
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| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.099g/mol |
| Monoisotopic Mass | 279.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number