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Home > Nitro Compounds > 75201-66-0
75201-66-0 | 1,3-Butanedione, 2-[(3-nitrophenyl)azo]-1-phenyl-
CAS No: 75201-66-0 Catalog No: AG005CVT MDL No:
Product Description
Catalog Number:
AG005CVT
Chemical Name:
1,3-Butanedione, 2-[(3-nitrophenyl)azo]-1-phenyl-
CAS Number:
75201-66-0
Molecular Formula:
C16H13N3O4
Molecular Weight:
311.2921
IUPAC Name:
2-[(3-nitrophenyl)diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C16H13N3O4/c1-11(20)15(16(21)12-6-3-2-4-7-12)18-17-13-8-5-9-14(10-13)19(22)23/h2-10,15H,1H3
InChI Key:
VBJVKJZEOREPIL-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.297g/mol
Monoisotopic Mass:
311.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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