Home Nitros ethyl 2,4,6-trimethyl-3-nitrobenzoate

ethyl 2,4,6-trimethyl-3-nitrobenzoate

CAS No.:
1153285-63-2
Catalog Number:
AG01A43X
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
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Product Description
Catalog Number:
AG01A43X
Chemical Name:
ethyl 2,4,6-trimethyl-3-nitrobenzoate
CAS Number:
1153285-63-2
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD12412144
IUPAC Name:
ethyl 2,4,6-trimethyl-3-nitrobenzoate
InChI:
InChI=1S/C12H15NO4/c1-5-17-12(14)10-7(2)6-8(3)11(9(10)4)13(15)16/h6H,5H2,1-4H3
InChI Key:
OUPCDOPMMAJMMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties