| CAS Number | 677746-34-8 |
| Catalog Number | AG00FCMA(AGN-PC-0OGCQK) |
| Chemical Name | 2-Methoxy-5-nitrophenylboronic acid pinacol ester |
| IUPAC Name | 2-(2-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)10-8-9(15(16)17)6-7-11(10)18-5/h6-8H,1-5H3 |
| InChI Key | DLBHUTKTPNNASR-UHFFFAOYSA-N |
| MDL Number | MFCD20327978 |
| Molecular Formula | C13H18BNO5 |
| Molecular Weight | 279.0967 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC([N+]([O-])=O)=CC=C2OC)O1 |
| Synonyms | 677746-34-8,
2-(2-Methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2-Methoxy-5-nitrophenylboronic acid pinacol ester,
ZINC170029246,
FCH2847227,
AX8288216,
C-0607,
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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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number