4-(N-Cyclopentylcarbamoyl)benzeneboronic acid pinacol ester - CAS 933987-10-1
Catalog: |
BB068920 |
Product Name: |
4-(N-Cyclopentylcarbamoyl)benzeneboronic acid pinacol ester |
CAS: |
933987-10-1 |
Synonyms: |
N-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 4-(N-CYCLOPENTYLCARBAMOYL)BENZENEBORONIC ACID PINACOL ESTER; Benzamide, N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; N-Cyclopentyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide |
IUPAC Name: | N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 4-(N-Cyclopentylcarbamoyl)benzeneboronic acid pinacol ester |
Molecular Weight: | 315.22 |
Molecular Formula: | C18H26BNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3CCCC3 |
InChI: | InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-9-13(10-12-14)16(21)20-15-7-5-6-8-15/h9-12,15H,5-8H2,1-4H3,(H,20,21) |
InChI Key: | ZEYNCUYCJKNKER-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.2005739 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.2005739 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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