5-Boc-amino-2-chlorophenylboronic Acid Pinacol Ester - CAS 1080573-28-9
Catalog: |
BB072516 |
Product Name: |
5-Boc-amino-2-chlorophenylboronic Acid Pinacol Ester |
CAS: |
1080573-28-9 |
Synonyms: |
5-BOC-Amino-2-chlorophenylboronic acid pinacol ester; tert-butyl N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate; tert-Butyl (4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate |
IUPAC Name: | tert-butyl N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
Molecular Weight: | 353.65 |
Molecular Formula: | C17H25BClNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)NC(=O)OC(C)(C)C)Cl |
InChI: | InChI=1S/C17H25BClNO4/c1-15(2,3)22-14(21)20-11-8-9-13(19)12(10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21) |
InChI Key: | KFBVAWBHPJEIJX-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 353.1565161 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 353.1565161 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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