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403715-76-4 | 2H-Pyrrolo[2,3-e]benzothiazole(9CI)
CAS No: 403715-76-4 Catalog No: AG00735Z MDL No:
Product Description
Catalog Number:
AG00735Z
Chemical Name:
2H-Pyrrolo[2,3-e]benzothiazole(9CI)
CAS Number:
403715-76-4
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
2H-pyrrolo[2,3-e][1,3]benzothiazole
InChI:
InChI=1S/C9H6N2S/c1-2-7-9(11-5-12-7)8-6(1)3-4-10-8/h1-4H,5H2
InChI Key:
GQJYZPKPJFXFON-UHFFFAOYSA-N
SMILES:
C1Sc2c(=N1)c1=NC=Cc1cc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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