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135792-92-6 | 6-BUTYL-2(3H)-BENZOTHIAZOLONE
CAS No: 135792-92-6 Catalog No: AG00AF1I MDL No:
Product Description
Catalog Number:
AG00AF1I
Chemical Name:
6-BUTYL-2(3H)-BENZOTHIAZOLONE
CAS Number:
135792-92-6
IUPAC Name:
6-butyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C11H13NOS/c1-2-3-4-8-5-6-9-10(7-8)14-11(13)12-9/h5-7H,2-4H2,1H3,(H,12,13)
InChI Key:
INUTZCNYJJCMOK-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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