Home Nitros methyl 4-(benzyloxy)-3-methoxy-2-nitrobenzoate

methyl 4-(benzyloxy)-3-methoxy-2-nitrobenzoate

CAS No.:
1461706-26-2
Catalog Number:
AG01ABYU
Molecular Formula:
C16H15NO6
Molecular Weight:
317.2934
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Product Description
Catalog Number:
AG01ABYU
Chemical Name:
methyl 4-(benzyloxy)-3-methoxy-2-nitrobenzoate
CAS Number:
1461706-26-2
Molecular Formula:
C16H15NO6
Molecular Weight:
317.2934
MDL Number:
MFCD26407791
IUPAC Name:
methyl 3-methoxy-2-nitro-4-phenylmethoxybenzoate
InChI:
InChI=1S/C16H15NO6/c1-21-15-13(23-10-11-6-4-3-5-7-11)9-8-12(16(18)22-2)14(15)17(19)20/h3-9H,10H2,1-2H3
InChI Key:
YTFYZTJUHUKZGK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OCc1ccccc1
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.09g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.297g/mol
Monoisotopic Mass:
317.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties