4-(Methoxycarbonyl)thiophene-2-boronic acid pinacol ester - CAS 1040281-86-4
Catalog: |
BB056530 |
Product Name: |
4-(Methoxycarbonyl)thiophene-2-boronic acid pinacol ester |
CAS: |
1040281-86-4 |
Synonyms: |
METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBOXYLATE; 4-(Methoxycarbonyl)thiophene-2-boronic acid pinacol ester; (4-(METHOXYCARBONYL)THIOPHEN-2-YL)BORONIC ACID PINACOL ESTER; 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate |
Description: | 4-(Methoxycarbonyl)thiophene-2-boronic acid pinacol ester |
Molecular Weight: | 268.14 |
Molecular Formula: | C12H17BO4S |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C(=O)OC |
InChI: | InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)9-6-8(7-18-9)10(14)15-5/h6-7H,1-5H3 |
InChI Key: | ZJFOCNXPSJTTFP-UHFFFAOYSA-N |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0940604 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0940604 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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