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192445-56-0 | 4,8-Ethano-2H-pyrrolo[3,4-f]benzothiazole (9CI)
CAS No: 192445-56-0 Catalog No: AG002FZM MDL No:
Product Description
Catalog Number:
AG002FZM
Chemical Name:
4,8-Ethano-2H-pyrrolo[3,4-f]benzothiazole (9CI)
CAS Number:
192445-56-0
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
IUPAC Name:
3-thia-5,10-diazatetracyclo[5.5.2.02,6.08,12]tetradeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C11H8N2S/c1-2-7-9-4-12-3-8(9)6(1)10-11(7)14-5-13-10/h3-4H,1-2,5H2
InChI Key:
RQFVHSWIBXATRE-UHFFFAOYSA-N
SMILES:
C1N=c2c(S1)c1CCc2c2c1=CN=C2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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