4'-Ethyl-4-biphenylboronic Acid - CAS 153035-62-2

Catalog:	BB010846
Product Name:	4'-Ethyl-4-biphenylboronic Acid
CAS:	153035-62-2
Synonyms:	[4-(4-ethylphenyl)phenyl]boronic acid; [4-(4-ethylphenyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[4-(4-ethylphenyl)phenyl]boronic acid
Description:	4'-Ethyl-4-biphenylboronic Acid (CAS# 153035-62-2) is a useful research chemical.
Molecular Weight:	226.08
Molecular Formula:	C14H15O2B
Canonical SMILES:	B(C1=CC=C(C=C1)C2=CC=C(C=C2)CC)(O)O
InChI:	InChI=1S/C14H15BO2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10,16-17H,2H2,1H3
InChI Key:	DEUOTLGHQXNPJY-UHFFFAOYSA-N
Boiling Point:	401.8 °C at 760 mmHg
Density:	1.13 g/cm³
Storage:	Inert atmosphere. Keep cold.
MDL:	MFCD04038068
LogP:	1.59580

Publication Number	Title	Priority Date
JP-2018519354-A	Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150709
US-2018170904-A1	Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150709
JP-2016147852-A	Liquid crystal compound and liquid crystal composition using the same	20150130
JP-6143389-B2	Liquid crystal compound and liquid crystal composition using the same	20150130
US-10113116-B2	Liquid crystal compound and liquid crystal composition employing the same	20150130

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Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.1165099
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.1165099
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0