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Home > Nitro Compounds > 545358-46-1
545358-46-1 | 2-[4-(2-nitrobenzenesulfonyl)piperazin-1-yl]pyrimidine
CAS No: 545358-46-1 Catalog No: AG00IVAK MDL No:MFCD01567382
Product Description
Catalog Number:
AG00IVAK
Chemical Name:
2-[4-(2-nitrobenzenesulfonyl)piperazin-1-yl]pyrimidine
CAS Number:
545358-46-1
Molecular Formula:
C14H15N5O4S
Molecular Weight:
349.3650
MDL Number:
MFCD01567382
IUPAC Name:
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
InChI:
InChI=1S/C14H15N5O4S/c20-19(21)12-4-1-2-5-13(12)24(22,23)18-10-8-17(9-11-18)14-15-6-3-7-16-14/h1-7H,8-11H2
InChI Key:
XETXFMSHLNWMDR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)c1ncccn1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.365g/mol
Monoisotopic Mass:
349.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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