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190384-95-3 | Benzothiazole, 2-[(1-methylethoxy)methyl]-
CAS No: 190384-95-3 Catalog No: AG002EIV MDL No:
Product Description
Catalog Number:
AG002EIV
Chemical Name:
Benzothiazole, 2-[(1-methylethoxy)methyl]-
CAS Number:
190384-95-3
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
2-(propan-2-yloxymethyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H13NOS/c1-8(2)13-7-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3
InChI Key:
SWGVMSYRAPDINJ-UHFFFAOYSA-N
SMILES:
CC(OCc1nc2c(s1)cccc2)C
Properties
Complexity:
186
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:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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