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786710-60-9 | 3-Isothiazolecarbonitrile,4-(4-methylphenyl)-(9CI)
CAS No: 786710-60-9 Catalog No: AG00GFGS MDL No:
Product Description
Catalog Number:
AG00GFGS
Chemical Name:
3-Isothiazolecarbonitrile,4-(4-methylphenyl)-(9CI)
CAS Number:
786710-60-9
IUPAC Name:
4-(4-methylphenyl)-1,2-thiazole-3-carbonitrile
InChI:
InChI=1S/C11H8N2S/c1-8-2-4-9(5-3-8)10-7-14-13-11(10)6-12/h2-5,7H,1H3
InChI Key:
GEYSDZODVHYGRC-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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