Home Nitros 1,3-diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate

1,3-diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate

CAS No.:
13631-94-2
Catalog Number:
AG01B1JZ
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
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Product Description
Catalog Number:
AG01B1JZ
Chemical Name:
1,3-diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate
CAS Number:
13631-94-2
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
MDL Number:
MFCD00623919
IUPAC Name:
diethyl 2-[(3-nitrophenyl)hydrazinylidene]propanedioate
InChI:
InChI=1S/C13H15N3O6/c1-3-21-12(17)11(13(18)22-4-2)15-14-9-6-5-7-10(8-9)16(19)20/h5-8,14H,3-4H2,1-2H3
InChI Key:
RVMQBEUTDYWOBS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1cccc(c1)[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.278g/mol
Monoisotopic Mass:
309.096g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties