Home Nitros ethyl 2-(1-nitronaphthalen-2-yl)acetate

ethyl 2-(1-nitronaphthalen-2-yl)acetate

CAS No.:
120542-06-5
Catalog Number:
AG009O04
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
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Product Description
Catalog Number:
AG009O04
Chemical Name:
ethyl 2-(1-nitronaphthalen-2-yl)acetate
CAS Number:
120542-06-5
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD11976134
IUPAC Name:
ethyl 2-(1-nitronaphthalen-2-yl)acetate
InChI:
InChI=1S/C14H13NO4/c1-2-19-13(16)9-11-8-7-10-5-3-4-6-12(10)14(11)15(17)18/h3-8H,2,9H2,1H3
InChI Key:
PIPCFJYYKGEQLH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties