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Home > Nitro Compounds > 330956-99-5
330956-99-5 | 6-Nitro-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 330956-99-5 Catalog No: AG00I6E5 MDL No:MFCD01203884
Product Description
Catalog Number:
AG00I6E5
Chemical Name:
6-Nitro-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
330956-99-5
Molecular Formula:
C11H12N4O2S
Molecular Weight:
264.3036
MDL Number:
MFCD01203884
IUPAC Name:
6-nitro-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H12N4O2S/c16-15(17)8-1-2-9-10(7-8)18-11(13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2
InChI Key:
RBZWYLUVTPLLOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.303g/mol
Monoisotopic Mass:
264.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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