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141321-04-2

141321-04-2 | Iron, tricarbonyl[2-(phenylazo)-5-(trifluoromethyl)pyridine]- (9CI)

CAS No: 141321-04-2 Catalog No: AG001G7K MDL No:

Product Description

Catalog Number:
AG001G7K
Chemical Name:
Iron, tricarbonyl[2-(phenylazo)-5-(trifluoromethyl)pyridine]- (9CI)
CAS Number:
141321-04-2
Molecular Formula:
C15H6F3FeN3O3
Molecular Weight:
389.0666
IUPAC Name:
[2,5-bis(oxomethylidene)-6-phenyldiazenyl-3-(trifluoromethyl)pyridin-4-ylidene]methanone;iron
InChI:
InChI=1S/C15H6F3N3O3.Fe/c16-15(17,18)13-10(6-22)11(7-23)14(19-12(13)8-24)21-20-9-4-2-1-3-5-9;/h1-5,13H;
InChI Key:
JZKFPPCZVQZKLJ-UHFFFAOYSA-N
SMILES:
O=C=C1C(=NC(=C=O)C(C1=C=O)C(F)(F)F)N=Nc1ccccc1.[Fe]

Properties

Complexity:
729  
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.971g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.071g/mol
Monoisotopic Mass:
388.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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