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40991-40-0 | 3-Butoxy-1,2-benzisothiazole
CAS No: 40991-40-0 Catalog No: AG00CSM4 MDL No:
Product Description
Catalog Number:
AG00CSM4
Chemical Name:
3-Butoxy-1,2-benzisothiazole
CAS Number:
40991-40-0
IUPAC Name:
3-butoxy-1,2-benzothiazole
InChI:
InChI=1S/C11H13NOS/c1-2-3-8-13-11-9-6-4-5-7-10(9)14-12-11/h4-7H,2-3,8H2,1H3
InChI Key:
AZHMYAOAMGOQQJ-UHFFFAOYSA-N
Properties
Complexity:
177
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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