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7686-41-1 | 5-Benzothiazolol
CAS No: 7686-41-1 Catalog No: AG0036KR MDL No:MFCD00983978
Product Description
Catalog Number:
AG0036KR
Chemical Name:
5-Benzothiazolol
CAS Number:
7686-41-1
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00983978
IUPAC Name:
1,3-benzothiazol-5-ol
InChI:
InChI=1S/C7H5NOS/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H
InChI Key:
BREUOIWLJRZAFF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ncs2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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