3-(3-Hydroxyphenyl)benzonitrile - CAS 154848-43-8

Name: 3-(3-Hydroxyphenyl)benzonitrile
Brand: BOC Sciences
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Catalog:	BB011061
Product Name:	3-(3-Hydroxyphenyl)benzonitrile
CAS:	154848-43-8
Synonyms:	3-(3-hydroxyphenyl)benzonitrile

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Computed Properties

IUPAC Name:	3-(3-hydroxyphenyl)benzonitrile
Description:	3-(3-Hydroxyphenyl)benzonitrile (CAS# 154848-43-8) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C13H9NO
Canonical SMILES:	C1=CC(=CC(=C1)C2=CC(=CC=C2)O)C#N
InChI:	InChI=1S/C13H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(15)8-12/h1-8,15H
InChI Key:	IYDCWWPOHIRIQG-UHFFFAOYSA-N
Boiling Point:	401.4 °C at 760 mmHg
Purity:	98 %
Density:	1.24 g/cm³
LogP:	2.93088

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, P391, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
JP-2016219497-A	Piezoelectric material	20150515
AU-2011262222-A1	Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application	20100604
AU-2011262222-B2	Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application	20100604
CA-2801405-A1	Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application	20100604
CN-103068797-B	Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application	20100604

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.068413911
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	44 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9