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58046-80-3 | 2-Benzothiazolebutanol(7CI,9CI)
CAS No: 58046-80-3 Catalog No: AG00EOB1 MDL No:
Product Description
Catalog Number:
AG00EOB1
Chemical Name:
2-Benzothiazolebutanol(7CI,9CI)
CAS Number:
58046-80-3
IUPAC Name:
4-(1,3-benzothiazol-2-yl)butan-1-ol
InChI:
InChI=1S/C11H13NOS/c13-8-4-3-7-11-12-9-5-1-2-6-10(9)14-11/h1-2,5-6,13H,3-4,7-8H2
InChI Key:
ZHJDQVQHQAUUKJ-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:
1
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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