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95547-63-0 | Benzothiazole, 2-[(2-propynyloxy)methyl]-
CAS No: 95547-63-0 Catalog No: AG006CMT MDL No:
Product Description
Catalog Number:
AG006CMT
Chemical Name:
Benzothiazole, 2-[(2-propynyloxy)methyl]-
CAS Number:
95547-63-0
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
IUPAC Name:
2-(prop-2-ynoxymethyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H9NOS/c1-2-7-13-8-11-12-9-5-3-4-6-10(9)14-11/h1,3-6H,7-8H2
InChI Key:
ULEZYACQOWMBQW-UHFFFAOYSA-N
SMILES:
C#CCOCc1nc2c(s1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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