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Home > Nitro Compounds > 1170534-84-5
1170534-84-5 | Piperidine, 3-methyl-1-[4-(methylsulfonyl)-2-nitrophenyl]-, hydrochloride (1:1)
CAS No: 1170534-84-5 Catalog No: AG000DN9 MDL No:MFCD09038301
Product Description
Catalog Number:
AG000DN9
Chemical Name:
Piperidine, 3-methyl-1-[4-(methylsulfonyl)-2-nitrophenyl]-, hydrochloride (1:1)
CAS Number:
1170534-84-5
Molecular Formula:
C13H19ClN2O4S
Molecular Weight:
334.8190
MDL Number:
MFCD09038301
IUPAC Name:
3-methyl-1-(4-methylsulfonyl-2-nitrophenyl)piperidine;hydrochloride
InChI:
InChI=1S/C13H18N2O4S.ClH/c1-10-4-3-7-14(9-10)12-6-5-11(20(2,18)19)8-13(12)15(16)17;/h5-6,8,10H,3-4,7,9H2,1-2H3;1H
InChI Key:
MTYSFTJVPFUFJH-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C.Cl
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.815g/mol
Monoisotopic Mass:
334.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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