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Home > Nitro Compounds > 833474-36-5
833474-36-5 | 1H-Indazole, 5-nitro-1-(4-thiazolylmethyl)-
CAS No: 833474-36-5 Catalog No: AG004SDD MDL No:
Product Description
Catalog Number:
AG004SDD
Chemical Name:
1H-Indazole, 5-nitro-1-(4-thiazolylmethyl)-
CAS Number:
833474-36-5
Molecular Formula:
C11H8N4O2S
Molecular Weight:
260.2718
IUPAC Name:
4-[(5-nitroindazol-1-yl)methyl]-1,3-thiazole
InChI:
InChI=1S/C11H8N4O2S/c16-15(17)10-1-2-11-8(3-10)4-13-14(11)5-9-6-18-7-12-9/h1-4,6-7H,5H2
InChI Key:
KASJFEYCYQTEEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cnn2Cc1cscn1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.271g/mol
Monoisotopic Mass:
260.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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