CAS 14178-15-5 | 3-Pyridinecarbonitrile, 2-phenoxy- | CAS Number 14178-15-5

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14178-15-5 | 3-Pyridinecarbonitrile, 2-phenoxy-

CAS No: 14178-15-5 Catalog No: AG001H6D MDL No:MFCD00015473

Product Description

Catalog Number:

AG001H6D

Chemical Name:

3-Pyridinecarbonitrile, 2-phenoxy-

CAS Number:

14178-15-5

Molecular Formula:

C12H8N2O

Molecular Weight:

196.2047

MDL Number:

MFCD00015473

IUPAC Name:

2-phenoxypyridine-3-carbonitrile

InChI:

InChI=1S/C12H8N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11/h1-8H

InChI Key:

KMQFYNLYTMIJPI-UHFFFAOYSA-N

SMILES:

N#Cc1cccnc1Oc1ccccc1

EC Number:

238-035-0

Properties

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.209g/mol

Monoisotopic Mass:

196.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501