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1368050-35-4 | 1-Isoquinolinamine, 3-chloro-N-methyl-
CAS No: 1368050-35-4 Catalog No: AG0012DY MDL No:
Product Description
Catalog Number:
AG0012DY
Chemical Name:
1-Isoquinolinamine, 3-chloro-N-methyl-
CAS Number:
1368050-35-4
Molecular Formula:
C10H9ClN2
Molecular Weight:
192.6449
IUPAC Name:
3-chloro-N-methylisoquinolin-1-amine
InChI:
InChI=1S/C10H9ClN2/c1-12-10-8-5-3-2-4-7(8)6-9(11)13-10/h2-6H,1H3,(H,12,13)
InChI Key:
NEXOIDQBAIFARE-UHFFFAOYSA-N
SMILES:
CNc1nc(Cl)cc2c1cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.646g/mol
Monoisotopic Mass:
192.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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