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188797-05-9 | 1H-Carbazole, 2,3,4,9-tetrahydro-6-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 188797-05-9 Catalog No: AG002HBS MDL No:
Product Description
Catalog Number:
AG002HBS
Chemical Name:
1H-Carbazole, 2,3,4,9-tetrahydro-6-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
188797-05-9
Molecular Formula:
C15H16N4
Molecular Weight:
252.3143
IUPAC Name:
6-(1,2,4-triazol-1-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazole
InChI:
InChI=1S/C15H16N4/c1-2-4-14-12(3-1)13-7-11(5-6-15(13)18-14)8-19-10-16-9-17-19/h5-7,9-10,18H,1-4,8H2
InChI Key:
OZXNGPNKUWDUPL-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)c1cc(ccc1[nH]2)Cn1cncn1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.321g/mol
Monoisotopic Mass:
252.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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