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40142-84-5 | Benzothiazole, 2-(4-isoxazolyl)- (9CI)
CAS No: 40142-84-5 Catalog No: AG00CPA9 MDL No:
Product Description
Catalog Number:
AG00CPA9
Chemical Name:
Benzothiazole, 2-(4-isoxazolyl)- (9CI)
CAS Number:
40142-84-5
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-1,2-oxazole
InChI:
InChI=1S/C10H6N2OS/c1-2-4-9-8(3-1)12-10(14-9)7-5-11-13-6-7/h1-6H
InChI Key:
QTRRVVVUIUMEKB-UHFFFAOYSA-N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.231g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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