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501328-47-8 | Benzothiazole, 2-[(2-butynyloxy)methyl]- (9CI)
CAS No: 501328-47-8 Catalog No: AG00DO8N MDL No:
Product Description
Catalog Number:
AG00DO8N
Chemical Name:
Benzothiazole, 2-[(2-butynyloxy)methyl]- (9CI)
CAS Number:
501328-47-8
IUPAC Name:
2-(but-2-ynoxymethyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H11NOS/c1-2-3-8-14-9-12-13-10-6-4-5-7-11(10)15-12/h4-7H,8-9H2,1H3
InChI Key:
GEZDVLWORRROJJ-UHFFFAOYSA-N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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