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213682-45-2 | 2-Benzothiazoleethanol,alpha-methyl-(9CI)
CAS No: 213682-45-2 Catalog No: AG00BLOF MDL No:MFCD18289982
Product Description
Catalog Number:
AG00BLOF
Chemical Name:
2-Benzothiazoleethanol,alpha-methyl-(9CI)
CAS Number:
213682-45-2
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD18289982
IUPAC Name:
1-(1,3-benzothiazol-2-yl)propan-2-ol
InChI:
InChI=1S/C10H11NOS/c1-7(12)6-10-11-8-4-2-3-5-9(8)13-10/h2-5,7,12H,6H2,1H3
InChI Key:
KYXMLFYNJMFUPZ-UHFFFAOYSA-N
SMILES:
CC(Cc1nc2c(s1)cccc2)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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