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325141-29-5 | Benzothiazole, 2-(2-butynyloxy)- (9CI)
CAS No: 325141-29-5 Catalog No: AG00CPCS MDL No:
Product Description
Catalog Number:
AG00CPCS
Chemical Name:
Benzothiazole, 2-(2-butynyloxy)- (9CI)
CAS Number:
325141-29-5
IUPAC Name:
2-but-2-ynoxy-1,3-benzothiazole
InChI:
InChI=1S/C11H9NOS/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,8H2,1H3
InChI Key:
ZHGIXCOHICUTJW-UHFFFAOYSA-N
Properties
Complexity:
255
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:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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