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85005-63-6

85005-63-6 | 4-[(2,4-DINITROPHENYL)AZO]-3-HYDROXY-N-PHENYLNAPHTHALENE-2-CARBOXAMIDE

CAS No: 85005-63-6 Catalog No: AG004TSG MDL No:

Product Description

Catalog Number:
AG004TSG
Chemical Name:
4-[(2,4-DINITROPHENYL)AZO]-3-HYDROXY-N-PHENYLNAPHTHALENE-2-CARBOXAMIDE
CAS Number:
85005-63-6
Molecular Formula:
C23H15N5O6
Molecular Weight:
457.3951
IUPAC Name:
4-[(2,4-dinitrophenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
InChI:
InChI=1S/C23H15N5O6/c29-22-18(23(30)24-15-7-2-1-3-8-15)12-14-6-4-5-9-17(14)21(22)26-25-19-11-10-16(27(31)32)13-20(19)28(33)34/h1-13,29H,(H,24,30)
InChI Key:
IXVZAOJDLOSZQG-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2c(c1O)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc1ccccc1
EC Number:
284-995-9

Properties

Complexity:
777  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.102g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
457.402g/mol
Monoisotopic Mass:
457.102g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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