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144230-65-9 | [1,2,4]Triazolo[5,1-a]isoquinoline, 9-chloro-5,6-dihydro-6-propyl-
CAS No: 144230-65-9 Catalog No: AG001J5G MDL No:
Product Description
Catalog Number:
AG001J5G
Chemical Name:
[1,2,4]Triazolo[5,1-a]isoquinoline, 9-chloro-5,6-dihydro-6-propyl-
CAS Number:
144230-65-9
Molecular Formula:
C13H14ClN3
Molecular Weight:
247.7234
IUPAC Name:
9-chloro-6-propyl-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
InChI:
InChI=1S/C13H14ClN3/c1-2-3-9-7-17-13(15-8-16-17)12-6-10(14)4-5-11(9)12/h4-6,8-9H,2-3,7H2,1H3
InChI Key:
PFIOTIAJRBQNOM-UHFFFAOYSA-N
SMILES:
CCCC1Cn2ncnc2c2c1ccc(c2)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.726g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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