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86380-89-4 | Acetic acid, azido[(4-nitrophenyl)hydrazono]-, ethyl ester
CAS No: 86380-89-4 Catalog No: AG004OCL MDL No:
Product Description
Catalog Number:
AG004OCL
Chemical Name:
Acetic acid, azido[(4-nitrophenyl)hydrazono]-, ethyl ester
CAS Number:
86380-89-4
Molecular Formula:
C10H10N6O4
Molecular Weight:
278.2242
IUPAC Name:
ethyl 2-azido-2-[(4-nitrophenyl)hydrazinylidene]acetate
InChI:
InChI=1S/C10H10N6O4/c1-2-20-10(17)9(14-15-11)13-12-7-3-5-8(6-4-7)16(18)19/h3-6,12H,2H2,1H3
InChI Key:
KIRHLQMIKXEFFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccc(cc1)[N+](=O)[O-])N=[N+]=[N-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.228g/mol
Monoisotopic Mass:
278.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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