Home Carboxys Ethyl 3,4-dihydro-2-methyl-6-nitro-3-oxo-2H-1,4-benzoxazine-2-carboxylate

Ethyl 3,4-dihydro-2-methyl-6-nitro-3-oxo-2H-1,4-benzoxazine-2-carboxylate

CAS No.:
154365-37-4
Catalog Number:
AG00AZN8
Molecular Formula:
C12H12N2O6
Molecular Weight:
280.2335
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Product Description
Catalog Number:
AG00AZN8
Chemical Name:
Ethyl 3,4-dihydro-2-methyl-6-nitro-3-oxo-2H-1,4-benzoxazine-2-carboxylate
CAS Number:
154365-37-4
Molecular Formula:
C12H12N2O6
Molecular Weight:
280.2335
MDL Number:
MFCD08443979
IUPAC Name:
ethyl 2-methyl-6-nitro-3-oxo-4H-1,4-benzoxazine-2-carboxylate
InChI:
InChI=1S/C12H12N2O6/c1-3-19-11(16)12(2)10(15)13-8-6-7(14(17)18)4-5-9(8)20-12/h4-6H,3H2,1-2H3,(H,13,15)
InChI Key:
RARDOKXXQXTSKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C)Oc2ccc(cc2NC1=O)[N+](=O)[O-]
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.07g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.236g/mol
Monoisotopic Mass:
280.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties