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Home > Nitro Compounds > 175135-20-3
175135-20-3 | Phenol, 5-(2,6-dimethyl-4-morpholinyl)-2-nitro-
CAS No: 175135-20-3 Catalog No: AG00205U MDL No:MFCD00053058
Product Description
Catalog Number:
AG00205U
Chemical Name:
Phenol, 5-(2,6-dimethyl-4-morpholinyl)-2-nitro-
CAS Number:
175135-20-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD00053058
IUPAC Name:
5-(2,6-dimethylmorpholin-4-yl)-2-nitrophenol
InChI:
InChI=1S/C12H16N2O4/c1-8-6-13(7-9(2)18-8)10-3-4-11(14(16)17)12(15)5-10/h3-5,8-9,15H,6-7H2,1-2H3
InChI Key:
VGOLNVZXOIJBKT-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)c1ccc(c(c1)O)[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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