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50361-91-6 | 2-Benzothiazolemethanol,alpha,alpha-dimethyl-(9CI)
CAS No: 50361-91-6 Catalog No: AG00DO03 MDL No:MFCD22369937
Product Description
Catalog Number:
AG00DO03
Chemical Name:
2-Benzothiazolemethanol,alpha,alpha-dimethyl-(9CI)
CAS Number:
50361-91-6
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD22369937
IUPAC Name:
2-(1,3-benzothiazol-2-yl)propan-2-ol
InChI:
InChI=1S/C10H11NOS/c1-10(2,12)9-11-7-5-3-4-6-8(7)13-9/h3-6,12H,1-2H3
InChI Key:
FBKGJBUZMQAVRO-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)cccc2)(O)C
Properties
Complexity:
195
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:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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