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1016672-98-2 | Benzonitrile, 3-[(4-methyl-1-piperazinyl)sulfonyl]-
CAS No: 1016672-98-2 Catalog No: AG00053T MDL No:
Product Description
Catalog Number:
AG00053T
Chemical Name:
Benzonitrile, 3-[(4-methyl-1-piperazinyl)sulfonyl]-
CAS Number:
1016672-98-2
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
IUPAC Name:
3-(4-methylpiperazin-1-yl)sulfonylbenzonitrile
InChI:
InChI=1S/C12H15N3O2S/c1-14-5-7-15(8-6-14)18(16,17)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
InChI Key:
BLQJMNNBFIZFNO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)N1CCN(CC1)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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