Home Nitros 4-nitrobenzyl 2-diazoacetoacetate

4-nitrobenzyl 2-diazoacetoacetate

CAS No.:
82551-63-1
Catalog Number:
AG00575W
Molecular Formula:
C11H9N3O5
Molecular Weight:
263.2063
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Product Description
Catalog Number:
AG00575W
Chemical Name:
4-nitrobenzyl 2-diazoacetoacetate
CAS Number:
82551-63-1
Molecular Formula:
C11H9N3O5
Molecular Weight:
263.2063
MDL Number:
MFCD11977231
IUPAC Name:
(4-nitrophenyl)methyl 2-diazo-3-oxobutanoate
InChI:
InChI=1S/C11H9N3O5/c1-7(15)10(13-12)11(16)19-6-8-2-4-9(5-3-8)14(17)18/h2-5H,6H2,1H3
InChI Key:
HEKGSEIAAGMGPL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.054g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.209g/mol
Monoisotopic Mass:
263.054g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  
Properties