| CAS Number | 1132669-91-0 |
| Catalog Number | AG00948Q(AGN-PC-0WAA7Y) |
| Chemical Name | 4-Chloro-2-formylphenylboronic acid, pinacol ester |
| IUPAC Name | 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H16BClO3/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-8H,1-4H3 |
| InChI Key | JSGQMZRCRXFFKM-UHFFFAOYSA-N |
| MDL Number | MFCD18731001 |
| Molecular Formula | C13H16BClO3 |
| Molecular Weight | 266.5283 |
| SMILES | O=CC1=CC(Cl)=CC=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 1132669-91-0,
4-Chloro-2-formylphenylboronic acid, pinacol ester,
5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
SCHEMBL13183359,
MFCD18731001,
AKOS025293570,
ZINC169955847,
FCH2749518,
AS-43579,
OR360935,
B-9667,
(4-chloro-2-formylphenyl)boronic acid pinacol ester,
4-Chloro-2-formylphenylboronic acid pinacol ester,
4-Chloro-2-formylphenylboronic acid,pinacol ester,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.528g/mol |
| Monoisotopic Mass | 266.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number