2-Isopropylphenylboronic Acid - CAS 89787-12-2

Catalog:	BB039595
Product Name:	2-Isopropylphenylboronic Acid
CAS:	89787-12-2
Synonyms:	(2-propan-2-ylphenyl)boronic acid; (2-propan-2-ylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(2-propan-2-ylphenyl)boronic acid
Description:	2-Isopropylphenylboronic Acid (CAS# 89787-12-2) is a useful research chemical.
Molecular Weight:	164.01
Molecular Formula:	C9H13O2B
Canonical SMILES:	B(C1=CC=CC=C1C(C)C)(O)O
InChI:	InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
InChI Key:	KTZUVUWIBZMHMC-UHFFFAOYSA-N
Boiling Point:	297.2 °C at 760 mmHg
Density:	1.04 g/cm³
MDL:	MFCD03411937
LogP:	0.48980

Publication Number	Title	Priority Date
CN-112409241-A	Organic compound, application thereof and organic electroluminescent device adopting organic compound	20201127
WO-2021208963-A1	Bcl-2 inhibitor	20200415
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
CN-111171721-A	Ceramizable ablation-resistant coating and preparation method thereof	20200122
CN-111171721-B	Ceramizable ablation-resistant coating and preparation method thereof	20200122

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.1008598
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.1008598
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0