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Home > Nitro Compounds > 942474-78-4
942474-78-4 | 1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidin-4-ol
CAS No: 942474-78-4 Catalog No: AG01EZGD MDL No:
Product Description
Catalog Number:
AG01EZGD
Chemical Name:
1-[4-(Ethylsulfonyl)-2-nitrophenyl]piperidin-4-ol
CAS Number:
942474-78-4
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
IUPAC Name:
1-(4-ethylsulfonyl-2-nitrophenyl)piperidin-4-ol
InChI:
InChI=1S/C13H18N2O5S/c1-2-21(19,20)11-3-4-12(13(9-11)15(17)18)14-7-5-10(16)6-8-14/h3-4,9-10,16H,2,5-8H2,1H3
InChI Key:
YEGBPXJEKSXHQB-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.356g/mol
Monoisotopic Mass:
314.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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