4-(trans-4-Propylcyclohexyl)phenylboronic Acid - CAS 146862-02-4

Catalog:	BB010129
Product Name:	4-(trans-4-Propylcyclohexyl)phenylboronic Acid
CAS:	146862-02-4
Synonyms:	[4-(4-propylcyclohexyl)phenyl]boronic acid; [4-(4-propylcyclohexyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(4-propylcyclohexyl)phenyl]boronic acid
Description:	4-(trans-4-Propylcyclohexyl)phenylboronic Acid (CAS# 146862-02-4) is a useful research chemical.
Molecular Weight:	246.15
Molecular Formula:	C15H23O2B
Canonical SMILES:	B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O
InChI:	InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3
InChI Key:	QTBUVZSHCNAPRT-UHFFFAOYSA-N
Boiling Point:	394.9 °C at 760 mmHg
Density:	1.03 g/cm³
MDL:	MFCD06658197
LogP:	2.44030

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Related Functional Groups

Boronic Acids and Esters

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2-Chloro-4-hydroxyphenylboronic Acid
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.1791101
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	246.1791101
Rotatable Bond Count:	4
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0