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89010-48-0

89010-48-0 | 1,3-Butanedione, 2-[(2-chlorophenyl)azo]-1-phenyl-

CAS No: 89010-48-0 Catalog No: AG0044N7 MDL No:

Product Description

Catalog Number:
AG0044N7
Chemical Name:
1,3-Butanedione, 2-[(2-chlorophenyl)azo]-1-phenyl-
CAS Number:
89010-48-0
Molecular Formula:
C16H13ClN2O2
Molecular Weight:
300.7396
IUPAC Name:
2-[(2-chlorophenyl)diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C16H13ClN2O2/c1-11(20)15(16(21)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17/h2-10,15H,1H3
InChI Key:
QJPPOJIKANNFRQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccccc1Cl

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.067g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.742g/mol
Monoisotopic Mass:
300.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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