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Home > Nitro Compounds > 1184091-83-5
1184091-83-5 | 2-[1-(2-nitrobenzenesulfonyl)piperidin-2-yl]ethan-1-ol
CAS No: 1184091-83-5 Catalog No: AG00IOH6 MDL No:MFCD27980588
Product Description
Catalog Number:
AG00IOH6
Chemical Name:
2-[1-(2-nitrobenzenesulfonyl)piperidin-2-yl]ethan-1-ol
CAS Number:
1184091-83-5
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
MDL Number:
MFCD27980588
IUPAC Name:
2-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]ethanol
InChI:
InChI=1S/C13H18N2O5S/c16-10-8-11-5-3-4-9-14(11)21(19,20)13-7-2-1-6-12(13)15(17)18/h1-2,6-7,11,16H,3-5,8-10H2
InChI Key:
GMQLQDMCXZMSBP-UHFFFAOYSA-N
SMILES:
OCCC1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
456
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:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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