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40176-80-5 | 2-ETHYNYL-BENZO[D]THIAZOLE
CAS No: 40176-80-5 Catalog No: AG00CAFQ MDL No:MFCD08703599
Product Description
Catalog Number:
AG00CAFQ
Chemical Name:
2-ETHYNYL-BENZO[D]THIAZOLE
CAS Number:
40176-80-5
MDL Number:
MFCD08703599
IUPAC Name:
2-ethynyl-1,3-benzothiazole
InChI:
InChI=1S/C9H5NS/c1-2-9-10-7-5-3-4-6-8(7)11-9/h1,3-6H
InChI Key:
ZLVCPVCGNOKHRF-UHFFFAOYSA-N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.206g/mol
Monoisotopic Mass:
159.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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