| CAS Number | 945391-06-0 |
| Catalog Number | AG00IIBM(AGN-PC-09MQVZ) |
| Chemical Name | 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
| IUPAC Name | 3-chloro-4-(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)10-6-5-9(8-16)7-11(10)15/h5-7H,1-4H3 |
| InChI Key | AGVDMZNQFRCYMD-UHFFFAOYSA-N |
| MDL Number | MFCD18072641 |
| Molecular Formula | C13H15BClNO2 |
| Molecular Weight | 263.5277 |
| SMILES | ClC=1C=C(C#N)C=CC1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 945391-06-0,
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
2-Chloro-4-cyanophenylboronic Acid Pinacol Ester,
3-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile,
SCHEMBL10041745,
MFCD18072641,
ZINC199179188,
DS-3280,
AK542533,
DA-00464,
SY039456,
FT-0748064,
MFCD18072641 (95%),
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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