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72737-52-1 | Benzothiazole, 2-[(1-ethyl-2-propenyl)oxy]- (9CI)
CAS No: 72737-52-1 Catalog No: AG00FVP7 MDL No:
Product Description
Catalog Number:
AG00FVP7
Chemical Name:
Benzothiazole, 2-[(1-ethyl-2-propenyl)oxy]- (9CI)
CAS Number:
72737-52-1
IUPAC Name:
2-pent-1-en-3-yloxy-1,3-benzothiazole
InChI:
InChI=1S/C12H13NOS/c1-3-9(4-2)14-12-13-10-7-5-6-8-11(10)15-12/h3,5-9H,1,4H2,2H3
InChI Key:
PDZGIDUPDUTPIG-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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