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90347-90-3 | 1-(Benzo[d]thiazol-5-yl)ethanone
CAS No: 90347-90-3 Catalog No: AG006FES MDL No:MFCD12408382
Product Description
Catalog Number:
AG006FES
Chemical Name:
1-(Benzo[d]thiazol-5-yl)ethanone
CAS Number:
90347-90-3
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD12408382
IUPAC Name:
1-(1,3-benzothiazol-5-yl)ethanone
InChI:
InChI=1S/C9H7NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-5H,1H3
InChI Key:
FCKINXPLWQMSSB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)ncs2
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:
1.7
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