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Home > Thiazole > 1629-78-3

1629-78-3

1629-78-3 | Ethanone, 1-(2-benzothiazolyl)-

CAS No: 1629-78-3 Catalog No: AG001TJ6 MDL No:MFCD00192994

Product Description

Catalog Number:
AG001TJ6
Chemical Name:
Ethanone, 1-(2-benzothiazolyl)-
CAS Number:
1629-78-3
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD00192994
IUPAC Name:
1-(1,3-benzothiazol-2-yl)ethanone
InChI:
InChI=1S/C9H7NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3
InChI Key:
GSTOPVGJHLPSBJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc2c(s1)cccc2

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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