| CAS Number | 1029439-70-0 |
| Catalog Number | AG00947M(AGN-PC-0WRA7W) |
| Chemical Name | 3-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| IUPAC Name | 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
| InChI | InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7,15H,1-4H3 |
| InChI Key | GVRXANKNFVXVMH-UHFFFAOYSA-N |
| MDL Number | MFCD16994424 |
| Molecular Formula | C12H16BClO3 |
| Molecular Weight | 254.5176 |
| SMILES | c1c(cc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl)O |
| Synonyms | 3-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL,
1029439-70-0,
SCHEMBL10269959,
MFCD16994424,
AKOS025312412,
ZINC169978324,
FCH2775180,
MB15646,
OR360999,
CS-0089481,
Z6570,
K-0336,
C12H16BClO3,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.517g/mol |
| Monoisotopic Mass | 254.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^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