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26577-60-6 | methyl 4-(morpholin-4-yl)-3-nitrobenzoate
CAS No: 26577-60-6 Catalog No: AG00IRGT MDL No:MFCD02046732
Product Description
Catalog Number:
AG00IRGT
Chemical Name:
methyl 4-(morpholin-4-yl)-3-nitrobenzoate
CAS Number:
26577-60-6
Molecular Formula:
C12H14N2O5
Molecular Weight:
266.2500
MDL Number:
MFCD02046732
IUPAC Name:
methyl 4-morpholin-4-yl-3-nitrobenzoate
InChI:
InChI=1S/C12H14N2O5/c1-18-12(15)9-2-3-10(11(8-9)14(16)17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3
InChI Key:
HPZLCXOOZSLFPW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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