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97378-14-8

97378-14-8 | 1H-Imidazole-4-carboxamide, 5-[(2-hydroxy-1-naphthalenyl)azo]-

CAS No: 97378-14-8 Catalog No: AG006CHG MDL No:

Product Description

Catalog Number:
AG006CHG
Chemical Name:
1H-Imidazole-4-carboxamide, 5-[(2-hydroxy-1-naphthalenyl)azo]-
CAS Number:
97378-14-8
Molecular Formula:
C14H11N5O2
Molecular Weight:
281.2694
IUPAC Name:
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C14H11N5O2/c15-13(21)12-14(17-7-16-12)19-18-11-9-4-2-1-3-8(9)5-6-10(11)20/h1-7,20H,(H2,15,21)(H,16,17)
InChI Key:
KDYXSMVMBFOCTM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1[nH]cnc1C(=O)N)cccc2
NSC Number:
45405

Properties

Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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