Home Nitros Methyl 2-Methoxy-4-Methyl-5-nitrobenzoate

Methyl 2-Methoxy-4-Methyl-5-nitrobenzoate

CAS No.:
1057652-79-5
Catalog Number:
AG008THT
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
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Product Description
Catalog Number:
AG008THT
Chemical Name:
Methyl 2-Methoxy-4-Methyl-5-nitrobenzoate
CAS Number:
1057652-79-5
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD19443222
IUPAC Name:
methyl 2-methoxy-4-methyl-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO5/c1-6-4-9(15-2)7(10(12)16-3)5-8(6)11(13)14/h4-5H,1-3H3
InChI Key:
NWXJRVZVIWNIHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1OC)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties