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787640-40-8 | 7-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 787640-40-8 Catalog No: AG00G8IU MDL No:
Product Description
Catalog Number:
AG00G8IU
Chemical Name:
7-(4H-1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
787640-40-8
IUPAC Name:
7-(1,2,4-triazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H12N4/c1-2-11(15-7-13-14-8-15)5-10-6-12-4-3-9(1)10/h1-2,5,7-8,12H,3-4,6H2
InChI Key:
SMIUEYGYPRCATG-UHFFFAOYSA-N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.245g/mol
Monoisotopic Mass:
200.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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