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51864-22-3 | Benzothiazole, 2-(5-pyrimidinyl)- (9CI)
CAS No: 51864-22-3 Catalog No: AG00DNZB MDL No:
Product Description
Catalog Number:
AG00DNZB
Chemical Name:
Benzothiazole, 2-(5-pyrimidinyl)- (9CI)
CAS Number:
51864-22-3
IUPAC Name:
2-pyrimidin-5-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H7N3S/c1-2-4-10-9(3-1)14-11(15-10)8-5-12-7-13-6-8/h1-7H
InChI Key:
JFMAXNVNBXLFOW-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.258g/mol
Monoisotopic Mass:
213.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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