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Home > Nitro Compounds > 866251-89-0
866251-89-0 | 1-(6-Nitrobenzotriazol-1-yl)hexane-1-thione
CAS No: 866251-89-0 Catalog No: AG00GXU6 MDL No:
Product Description
Catalog Number:
AG00GXU6
Chemical Name:
1-(6-Nitrobenzotriazol-1-yl)hexane-1-thione
CAS Number:
866251-89-0
IUPAC Name:
1-(6-nitrobenzotriazol-1-yl)hexane-1-thione
InChI:
InChI=1S/C12H14N4O2S/c1-2-3-4-5-12(19)15-11-8-9(16(17)18)6-7-10(11)13-14-15/h6-8H,2-5H2,1H3
InChI Key:
PUUFFWRRQOGAHS-UHFFFAOYSA-N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.33g/mol
Monoisotopic Mass:
278.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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