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24854-76-0

24854-76-0 | Phenol, 2-[(1H-benzimidazol-2-ylimino)methyl]-

CAS No: 24854-76-0 Catalog No: AG002PNJ MDL No:

Product Description

Catalog Number:
AG002PNJ
Chemical Name:
Phenol, 2-[(1H-benzimidazol-2-ylimino)methyl]-
CAS Number:
24854-76-0
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
2-(1H-benzimidazol-2-yliminomethyl)phenol
InChI:
InChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-9,18H,(H,16,17)
InChI Key:
FRQQCSRPTGTJHF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nc1nc2c([nH]1)cccc2

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  

Literature

Title Journal
Discrete tetrairon(III) cluster exhibiting a square-planar Fe4(mu4-O) core: structural and magnetic properties. Inorganic chemistry 20100301

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