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120821-89-8 | 2-Benzothiazolemethanol,alpha-propyl-(9CI)
CAS No: 120821-89-8 Catalog No: AG009KMU MDL No:
Product Description
Catalog Number:
AG009KMU
Chemical Name:
2-Benzothiazolemethanol,alpha-propyl-(9CI)
CAS Number:
120821-89-8
IUPAC Name:
1-(1,3-benzothiazol-2-yl)butan-1-ol
InChI:
InChI=1S/C11H13NOS/c1-2-5-9(13)11-12-8-6-3-4-7-10(8)14-11/h3-4,6-7,9,13H,2,5H2,1H3
InChI Key:
QUALWCUMELJQRF-UHFFFAOYSA-N
Properties
Complexity:
188
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:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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