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Home > Nitro Compounds > 501081-21-6
501081-21-6 | 1-[(4-nitrophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine
CAS No: 501081-21-6 Catalog No: AG01BEH0 MDL No:MFCD17849109
Product Description
Catalog Number:
AG01BEH0
Chemical Name:
1-[(4-nitrophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine
CAS Number:
501081-21-6
Molecular Formula:
C14H16N4O2S
Molecular Weight:
304.3674
MDL Number:
MFCD17849109
IUPAC Name:
2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-1,3-thiazole
InChI:
InChI=1S/C14H16N4O2S/c19-18(20)13-3-1-12(2-4-13)11-16-6-8-17(9-7-16)14-15-5-10-21-14/h1-5,10H,6-9,11H2
InChI Key:
VFZUGIDSASRHPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CN1CCN(CC1)c1nccs1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.368g/mol
Monoisotopic Mass:
304.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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