4-(1,2,4-Oxadiazol-3-yl)aniline hydrochloride | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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4-(1,2,4-Oxadiazol-3-yl)aniline Hydrochloride
Chemistry
Table View

2D Structure

Also known as: 1803608-48-1, 4-(1,2,4-oxadiazol-3-yl)aniline;hydrochloride, At21597, 4-(1,2,4-oxadiazol-3-yl)anilinehydrochloride, En300-219643

Molecular Formula

C₈H₈ClN₃O

Molecular Weight

197.62 g/mol

InChI Key

SHDLKFDHTNZDBJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1,2,4-oxadiazol-3-yl)aniline;hydrochloride

2.1.2 InChI

InChI=1S/C8H7N3O.ClH/c9-7-3-1-6(2-4-7)8-10-5-12-11-8;/h1-5H,9H2;1H

2.1.3 InChI Key

SHDLKFDHTNZDBJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C2=NOC=N2)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1803608-48-1

2. 4-(1,2,4-oxadiazol-3-yl)aniline;hydrochloride

3. At21597

4. 4-(1,2,4-oxadiazol-3-yl)anilinehydrochloride

5. En300-219643

2.3 Create Date

2016-05-20

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClN₃O
Molecular Weight	197.62 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64.9
Heavy Atom Count	13
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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