Isoquinoline, 4-chloro-


Chemical Name: Isoquinoline, 4-chloro-
CAS Number: 1532-91-8
Product Number: AG007Y7W(AGN-PC-0JU7K5)
Synonyms:
MDL No:
Molecular Formula: C9H6ClN
Molecular Weight: 163.6036

Identification/Properties


Computed Properties
Molecular Weight:
163.604g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
163.019g/mol
Monoisotopic Mass:
163.019g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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