Home Nitros methyl 2-ethyl-5-nitrobenzoate

methyl 2-ethyl-5-nitrobenzoate

CAS No.:
103205-48-7
Catalog Number:
AG01AL2K
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
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Product Description
Catalog Number:
AG01AL2K
Chemical Name:
methyl 2-ethyl-5-nitrobenzoate
CAS Number:
103205-48-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD24123502
IUPAC Name:
methyl 2-ethyl-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-3-7-4-5-8(11(13)14)6-9(7)10(12)15-2/h4-6H,3H2,1-2H3
InChI Key:
QCBAWUWFMSIGNL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1CC)[N+](=O)[O-]
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties