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64126-79-0 | Benzothiazole, 4-ethoxy- (9CI)
CAS No: 64126-79-0 Catalog No: AG00EO8S MDL No:
Product Description
Catalog Number:
AG00EO8S
Chemical Name:
Benzothiazole, 4-ethoxy- (9CI)
CAS Number:
64126-79-0
IUPAC Name:
4-ethoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-2-11-7-4-3-5-8-9(7)10-6-12-8/h3-6H,2H2,1H3
InChI Key:
WQJKBLBBLUDZEW-UHFFFAOYSA-N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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