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Home > Nitro Compounds > 1217862-34-4
1217862-34-4 | 2-[(4-Nitro-1H-pyrazol-3-yl)thio]-1,3-benzothiazole
CAS No: 1217862-34-4 Catalog No: AG00HGFB MDL No:
Product Description
Catalog Number:
AG00HGFB
Chemical Name:
2-[(4-Nitro-1H-pyrazol-3-yl)thio]-1,3-benzothiazole
CAS Number:
1217862-34-4
IUPAC Name:
2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C10H6N4O2S2/c15-14(16)7-5-11-13-9(7)18-10-12-6-3-1-2-4-8(6)17-10/h1-5H,(H,11,13)
InChI Key:
VEXNQJNRBJBDLX-UHFFFAOYSA-N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
277.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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