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42858-03-7 | 4,7-Methano-2H-cycloheptathiazole(9CI)
CAS No: 42858-03-7 Catalog No: AG00D7DV MDL No:
Product Description
Catalog Number:
AG00D7DV
Chemical Name:
4,7-Methano-2H-cycloheptathiazole(9CI)
CAS Number:
42858-03-7
IUPAC Name:
5-thia-3-azatricyclo[6.2.1.02,6]undeca-1(10),2,6,8-tetraene
InChI:
InChI=1S/C9H7NS/c1-2-7-3-6(1)4-8-9(7)10-5-11-8/h1-2,4H,3,5H2
InChI Key:
XBZLBJCJNRRPKK-UHFFFAOYSA-N
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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