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Home > Nitro Compounds > 175136-71-7
175136-71-7 | Benzoic acid, 2-(2,6-dimethyl-4-morpholinyl)-5-nitro-
CAS No: 175136-71-7 Catalog No: AG00209G MDL No:MFCD00052231
Product Description
Catalog Number:
AG00209G
Chemical Name:
Benzoic acid, 2-(2,6-dimethyl-4-morpholinyl)-5-nitro-
CAS Number:
175136-71-7
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
MDL Number:
MFCD00052231
IUPAC Name:
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C13H16N2O5/c1-8-6-14(7-9(2)20-8)12-4-3-10(15(18)19)5-11(12)13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)
InChI Key:
UIPNFRABNZPIBW-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)c1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.28g/mol
Monoisotopic Mass:
280.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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