3-Benzoylphenylboronic acid pinacol ester - CAS 949022-45-1

Name: 3-Benzoylphenylboronic acid pinacol ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB055064
Product Name:	3-Benzoylphenylboronic acid pinacol ester
CAS:	949022-45-1
Synonyms:	3-BENZOYLPHENYLBORONIC ACID PINACOL ESTER; Phenyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone; phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; phenyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Technical Data

IUPAC Name:	phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Molecular Weight:	308.18
Molecular Formula:	C19H21BO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3
InChI:	InChI=1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-11-15(13-16)17(21)14-9-6-5-7-10-14/h5-13H,1-4H3
InChI Key:	LAELVQOXYPYWJZ-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

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Complexity:	424
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.1583747
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.1583747
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0