| CAS Number | 904310-72-1 |
| Catalog Number | AG00IG54(AGN-PC-0WGGCO) |
| Chemical Name | 4-Carboxy-2-chlorophenylboronic acid pinacol ester |
| IUPAC Name | 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| InChI | InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H,16,17) |
| InChI Key | ANUPJIQZQOCGHR-UHFFFAOYSA-N |
| MDL Number | MFCD22414480 |
| Molecular Formula | C13H16BClO4 |
| Molecular Weight | 282.5277 |
| SMILES | ClC=1C=C(C(=O)O)C=CC1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 904310-72-1,
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid,
3-CHLORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID,
SCHEMBL1130339,
KS-00000TFF,
MFCD22414480,
ZINC203643188,
FCH2881505,
AK202729,
DS-10307,
TZ000635,
CS-0036257,
4-Carboxy-2-chlorophenylboronic acid pinacol ester,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.527g/mol |
| Monoisotopic Mass | 282.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^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