Pinacol Ester 2-Chloro-6-hydroxyphenylboronic Acid - CAS 1451391-17-5

Catalog:	BB055599
Product Name:	Pinacol Ester 2-Chloro-6-hydroxyphenylboronic Acid
CAS:	1451391-17-5
Synonyms:	3- Chloro- 2- (4, 4, 5, 5- tetramethyl- 1, 3, 2- dioxaborolan- 2- yl) phenol

Technical Data

IUPAC Name:	3-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Description:	Pinacol Ester 2-Chloro-6-hydroxyphenylboronic Acid is used in preparation of aromatic heterocyclic compounds for organic electronic device materials.
Molecular Weight:	254.52
Molecular Formula:	C12H16BClO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2Cl)O
InChI:	InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7,15H,1-4H3
InChI Key:	BSFCYZUEPAANES-UHFFFAOYSA-N
References:	Shin, Jin U., et al. Repub. Korean Kongkae Taeho Kongbo, (2021).

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.0881022
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.0881022
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0