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Home > Nitro Compounds > 1803607-05-7
1803607-05-7 | 1-(2-methyl-5-nitrobenzenesulfonyl)piperazine hydrochloride
CAS No: 1803607-05-7 Catalog No: AG019L69 MDL No:MFCD28145642
Product Description
Catalog Number:
AG019L69
Chemical Name:
1-(2-methyl-5-nitrobenzenesulfonyl)piperazine hydrochloride
CAS Number:
1803607-05-7
Molecular Formula:
C11H16ClN3O4S
Molecular Weight:
321.7804
MDL Number:
MFCD28145642
IUPAC Name:
1-(2-methyl-5-nitrophenyl)sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C11H15N3O4S.ClH/c1-9-2-3-10(14(15)16)8-11(9)19(17,18)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3;1H
InChI Key:
KAOMPYHOBALVGL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)N1CCNCC1)[N+](=O)[O-].Cl
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.776g/mol
Monoisotopic Mass:
321.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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