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Home > Nitro Compounds > 1242268-02-5
1242268-02-5 | 1-(3-methoxy-4-nitrophenyl)piperidin-4-yl methanesulfonate
CAS No: 1242268-02-5 Catalog No: AG00IU3A MDL No:MFCD16622790
Product Description
Catalog Number:
AG00IU3A
Chemical Name:
1-(3-methoxy-4-nitrophenyl)piperidin-4-yl methanesulfonate
CAS Number:
1242268-02-5
Molecular Formula:
C13H18N2O6S
Molecular Weight:
330.3568
MDL Number:
MFCD16622790
IUPAC Name:
[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl] methanesulfonate
InChI:
InChI=1S/C13H18N2O6S/c1-20-13-9-10(3-4-12(13)15(16)17)14-7-5-11(6-8-14)21-22(2,18)19/h3-4,9,11H,5-8H2,1-2H3
InChI Key:
UBSBFSXZCXOKSG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)OS(=O)(=O)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.355g/mol
Monoisotopic Mass:
330.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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