4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester - CAS 1621438-71-8
Catalog: |
BB070040 |
Product Name: |
4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester |
CAS: |
1621438-71-8 |
Synonyms: |
4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester; 2-Chloro-N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | 2-chloro-N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester |
Molecular Weight: | 339.62 |
Molecular Formula: | C16H23BClNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)C(=O)NC3CC3 |
InChI: | InChI=1S/C16H21BClNO3/c1-15(2)16(3,4)22-17(21-15)10-5-8-13(18)12(9-10)14(20)19-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H,19,20) |
InChI Key: | JYYZOEZRCJOJAM-UHFFFAOYSA-N |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.1303014 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.1303014 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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