| CAS Number | 1449475-29-9 |
| Catalog Number | AG00HXCG |
| Chemical Name | 2-Chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| InChI | InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(15)9(10)8-16/h5-7H,1-4H3 |
| InChI Key | MMAGXXNVDWQTPQ-UHFFFAOYSA-N |
| MDL Number | MFCD18729917 |
| Molecular Formula | C13H15BClNO2 |
| Molecular Weight | 263.5277 |
| SMILES | c1(cccc(c1C#N)B1OC(C(O1)(C)C)(C)C)Cl |
| Synonyms | 2-Chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
1449475-29-9,
SCHEMBL15156866,
MFCD18729917,
2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
AKOS026673451,
ZINC170008891,
Y2310,
Z-2758,
2-?Chloro-?6-?(tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?benzonitrile,
74599-53-4,
C13H15BClNO2,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.528g/mol |
| Monoisotopic Mass | 263.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^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