200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 79889-59-1
79889-59-1 | 4-(3-nitrophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene
CAS No: 79889-59-1 Catalog No: AG00IY9Q MDL No:MFCD00417888
Product Description
Catalog Number:
AG00IY9Q
Chemical Name:
4-(3-nitrophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene
CAS Number:
79889-59-1
Molecular Formula:
C15H9N3O2S
Molecular Weight:
295.3159
MDL Number:
MFCD00417888
IUPAC Name:
2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C15H9N3O2S/c19-18(20)11-5-3-4-10(8-11)12-9-17-13-6-1-2-7-14(13)21-15(17)16-12/h1-9H
InChI Key:
WUTCLFXGLBVBRQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cn2c(n1)sc1c2cccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.316g/mol
Monoisotopic Mass:
295.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.