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204644-44-0 | 2(3H)-Benzothiazolone,6-propyl-(9CI)
CAS No: 204644-44-0 Catalog No: AG00BSI1 MDL No:
Product Description
Catalog Number:
AG00BSI1
Chemical Name:
2(3H)-Benzothiazolone,6-propyl-(9CI)
CAS Number:
204644-44-0
IUPAC Name:
6-propyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H11NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h4-6H,2-3H2,1H3,(H,11,12)
InChI Key:
DFXLVFVYVNIZBQ-UHFFFAOYSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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